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GRF (1-29) amide (rat) 10mg

CAT: 0628-A22846-10Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
91826-20-9

Chemical Information

GRF (1-29) amide (rat)
CAS Number91826-20-9
PubChem CID90478245
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC155H251N49O40S
Molecular Weight3473.0
XLogP-10.2
Topological Polar Surface Area1500
Hydrogen Bond Donor Count54
Hydrogen Bond Acceptor Count49
Rotatable Bond Count121
Heavy Atom Count245
Formal Charge0
Complexity7960
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CNC=N5)N
InChI
InChI=1S/C155H251N49O40S/c1-20-80(12)120(201-127(220)85(17)180-138(231)112(68-119(215)216)189-126(219)83(15)178-128(221)94(157)65-90-69-169-74-176-90)149(242)198-109(62-87-32-24-23-25-33-87)145(238)204-123(86(18)207)151(244)200-114(73-206)147(240)199-113(72-205)146(239)194-108(64-89-41-45-93(209)46-42-89)142(235)186-98(37-30-55-173-154(165)166)131(224)185-99(38-31-56-174-155(167)168)135(228)202-122(82(14)22-3)150(243)197-103(58-76(4)5)129(222)175-71-117(212)181-100(47-49-115(158)210)133(226)191-105(60-78(8)9)140(233)193-107(63-88-39-43-92(208)44-40-88)137(230)179-84(16)125(218)183-97(36-29-54-172-153(163)164)130(223)184-96(34-26-27-52-156)132(225)190-104(59-77(6)7)139(232)192-106(61-79(10)11)141(234)195-110(66-91-70-170-75-177-91)143(236)187-101(48-50-118(213)214)136(229)203-121(81(13)21-2)148(241)188-102(51-57-245-19)134(227)196-111(67-116(159)211)144(237)182-95(124(160)217)35-28-53-171-152(161)162/h23-25,32-33,39-46,69-70,74-86,94-114,120-123,205-209H,20-22,26-31,34-38,47-68,71-73,156-157H2,1-19H3,(H2,158,210)(H2,159,211)(H2,160,217)(H,169,176)(H,170,177)(H,175,222)(H,178,221)(H,179,230)(H,180,231)(H,181,212)(H,182,237)(H,183,218)(H,184,223)(H,185,224)(H,186,235)(H,187,236)(H,188,241)(H,189,219)(H,190,225)(H,191,226)(H,192,232)(H,193,233)(H,194,239)(H,195,234)(H,196,227)(H,197,243)(H,198,242)(H,199,240)(H,200,244)(H,201,220)(H,202,228)(H,203,229)(H,204,238)(H,213,214)(H,215,216)(H4,161,162,171)(H4,163,164,172)(H4,165,166,173)(H4,167,168,174)/t80-,81-,82-,83-,84-,85-,86+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,120-,121-,122-,123-/m0/s1
InChIKey
MEFNIEDWNSBZSR-UCRGYRMUSA-N
Chemical Structure
2D Structure
2D structure of GRF (1-29) amide (rat)
CAS: 91826-20-9
CID: 90478245
Formula: C155H251N49O40S
MW: 3473.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3473.0
XLogP3-10.2
Hydrogen Bond Donor Count54
Hydrogen Bond Acceptor Count49
Rotatable Bond Count121
Exact Mass3471.8867200
Monoisotopic Mass3470.8833652
Topological Polar Surface Area1500 Ų
Heavy Atom Count245
Formal Charge0
Complexity7960
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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