GIP (1-30) amide, human
CAT: 0931-TP1584-01Size: 100 mgDry Ice: NoHazardous: No
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CAS Number
198624-01-0
Target
IGF-1R
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
GIP (1-30) amide (Human) is an insulin-dependent glucose-dependent polypeptide.The sugar-dependent insulin polypeptide (GIP) is an insulin secreting hormone, which can stimulate the secretion of insulin and reduce the occurrence of postpranal-glycemic diseases.
Smiles
C([C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCCN)C(N)=O)=O)CCC(N)=O)=O)C)=O)CC(C)C)=O)CC(C)C)=O)NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CN=CN2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC4=CC=CC=C4)NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H](CC5=CC=C(O)C=C5)N)=O)C)=O)CCC(O)=O)=O)=O)[C@@H](C)O)=O)=O)[C@H](CC)C)=O)CO)=O)CC(O)=O)=O)=O)CO)=O)[C@H](CC)C)=O)C)=O)CCSC)=O)CC(O)=O)=O)CCCCN)=O)[C@H](CC)C)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)CC(O)=O)=O)=O)[C@@H](C)C)=O)CC(N)=O)=O)C=6C=7C(NC6)=CC=CC7
Molecular Formula
C162H240N40O47S
Molecular Weight
3531.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C
Chemical Information
CID 16154434
| CAS Number | 198624-01-0 |
| PubChem CID | 16154434 |
| IUPAC Name | (4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid |
| Molecular Formula | C162H240N40O47S |
| Molecular Weight | 3531.9 |
| XLogP | -11.9 |
| Topological Polar Surface Area | 1460 |
| Hydrogen Bond Donor Count | 48 |
| Hydrogen Bond Acceptor Count | 52 |
| Rotatable Bond Count | 116 |
| Heavy Atom Count | 250 |
| Formal Charge | 0 |
| Complexity | 8280 |
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC7=CC=C(C=C7)O)N
InChI
InChI=1S/C162H240N40O47S/c1-18-82(10)130(202-157(244)119(77-204)196-147(234)109(66-92-43-47-96(207)48-44-92)187-153(240)117(72-128(219)220)192-156(243)118(76-203)197-161(248)132(84(12)20-3)201-155(242)111(65-90-35-25-22-26-36-90)193-162(249)133(88(16)205)198-124(212)75-173-139(226)102(52-56-125(213)214)179-135(222)85(13)175-138(225)98(165)63-91-41-45-95(206)46-42-91)159(246)177-87(15)137(224)181-106(57-60-250-17)143(230)191-115(70-126(215)216)151(238)182-101(40-30-32-59-164)144(231)200-131(83(11)19-2)160(247)194-113(68-94-74-171-78-174-94)149(236)184-104(50-54-121(167)209)141(228)183-105(51-55-122(168)210)142(229)190-116(71-127(217)218)152(239)188-110(64-89-33-23-21-24-34-89)154(241)199-129(81(8)9)158(245)195-114(69-123(169)211)150(237)189-112(67-93-73-172-99-38-28-27-37-97(93)99)148(235)186-108(62-80(6)7)146(233)185-107(61-79(4)5)145(232)176-86(14)136(223)180-103(49-53-120(166)208)140(227)178-100(134(170)221)39-29-31-58-163/h21-28,33-38,41-48,73-74,78-88,98,100-119,129-133,172,203-207H,18-20,29-32,39-40,49-72,75-77,163-165H2,1-17H3,(H2,166,208)(H2,167,209)(H2,168,210)(H2,169,211)(H2,170,221)(H,171,174)(H,173,226)(H,175,225)(H,176,232)(H,177,246)(H,178,227)(H,179,222)(H,180,223)(H,181,224)(H,182,238)(H,183,228)(H,184,236)(H,185,233)(H,186,235)(H,187,240)(H,188,239)(H,189,237)(H,190,229)(H,191,230)(H,192,243)(H,193,249)(H,194,247)(H,195,245)(H,196,234)(H,197,248)(H,198,212)(H,199,241)(H,200,231)(H,201,242)(H,202,244)(H,213,214)(H,215,216)(H,217,218)(H,219,220)/t82-,83-,84-,85-,86-,87-,88+,98-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,129-,130-,131-,132-,133-/m0/s1
InChIKey
NNIAYXUJCSWQRS-YNEFCBPESA-N
Chemical Structure
2D Structure
CAS: 198624-01-0
CID: 16154434
Formula: C162H240N40O47S
MW: 3531.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
| Property | Value |
|---|---|
| Molecular Weight | 3531.9 |
| XLogP3 | -11.9 |
| Hydrogen Bond Donor Count | 48 |
| Hydrogen Bond Acceptor Count | 52 |
| Rotatable Bond Count | 116 |
| Exact Mass | 3530.7373809 |
| Monoisotopic Mass | 3529.7340261 |
| Topological Polar Surface Area | 1460 Ų |
| Heavy Atom Count | 250 |
| Formal Charge | 0 |
| Complexity | 8280 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 33 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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