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PTH-rP (Human, 7-34 Amide)

CAT: 0926-PTH-4215-VSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-PTH-4215-VSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115695-30-2
Smiles
CCC (C) C (C (=O) NC (CC1=CNC=N1) C (=O) NC (C (C) O) C (=O) NC (C) C (=O) N) NC (=O) C (CCC (=O) O) NC (=O) C (C) NC (=O) C (C (C) CC) NC (=O) C (CC (C) C) NC (=O) C (CC2=CNC=N2) NC (=O) C (CC3=CNC=N3) NC (=O) C (CC (C) C) NC (=O) C (CC4=CC=CC=C4) NC (=O) C (CC5=CC=CC=C5) NC (=O) C (CCCNC (=N) N) NC (=O) C (CCCNC (=N) N) NC (=O) C (CCCNC (=N) N) NC (=O) C (CC (C) C) NC (=O) C (CC (=O) O) NC (=O) C (CCC (=O) N) NC (=O) C (C (C) CC) NC (=O) C (CO) NC (=O) C (CCCCN) NC (=O) CNC (=O) C (CCCCN) NC (=O) C (CC (=O) O) NC (=O) C (CC6=CNC=N6) NC (=O) C (CC (C) C) NC (=O) C (CC (C) C) N
Molecular Formula
C153H247N49O37
Molecular Weight
3,364.9 g/mol
Controlled
No

Chemical Information

CID 121235609
CAS Number115695-30-2
PubChem CID121235609
IUPAC Name(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC153H247N49O37
Molecular Weight3364.9
XLogP-10.7
Topological Polar Surface Area1400
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count118
Heavy Atom Count239
Formal Charge0
Complexity7690
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C153H247N49O37/c1-20-82(14)120(147(236)178-86(18)125(214)180-101(46-48-117(207)208)133(222)199-122(84(16)22-3)149(238)197-111(64-93-70-168-76-176-93)145(234)202-123(87(19)204)150(239)177-85(17)124(158)213)200-144(233)105(58-81(12)13)189-139(228)108(61-90-67-165-73-173-90)194-140(229)109(62-91-68-166-74-174-91)193-136(225)104(57-80(10)11)187-137(226)107(60-89-38-27-24-28-39-89)191-138(227)106(59-88-36-25-23-26-37-88)190-131(220)99(44-35-53-171-153(163)164)183-129(218)97(42-33-51-169-151(159)160)182-130(219)98(43-34-52-170-152(161)162)184-134(223)103(56-79(8)9)188-143(232)113(66-119(211)212)195-132(221)100(45-47-115(157)205)185-148(237)121(83(15)21-2)201-146(235)114(72-203)198-128(217)96(41-30-32-50-155)179-116(206)71-172-127(216)95(40-29-31-49-154)181-142(231)112(65-118(209)210)196-141(230)110(63-92-69-167-75-175-92)192-135(224)102(55-78(6)7)186-126(215)94(156)54-77(4)5/h23-28,36-39,67-70,73-87,94-114,120-123,203-204H,20-22,29-35,40-66,71-72,154-156H2,1-19H3,(H2,157,205)(H2,158,213)(H,165,173)(H,166,174)(H,167,175)(H,168,176)(H,172,216)(H,177,239)(H,178,236)(H,179,206)(H,180,214)(H,181,231)(H,182,219)(H,183,218)(H,184,223)(H,185,237)(H,186,215)(H,187,226)(H,188,232)(H,189,228)(H,190,220)(H,191,227)(H,192,224)(H,193,225)(H,194,229)(H,195,221)(H,196,230)(H,197,238)(H,198,217)(H,199,222)(H,200,233)(H,201,235)(H,202,234)(H,207,208)(H,209,210)(H,211,212)(H4,159,160,169)(H4,161,162,170)(H4,163,164,171)/t82-,83-,84-,85-,86-,87+,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
LMYVBBOUSGMYHN-HPMYYUFQSA-N
Chemical Structure
2D Structure
2D structure of CID 121235609
CAS: 115695-30-2
CID: 121235609
Formula: C153H247N49O37
MW: 3364.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3364.9
XLogP3-10.7
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count118
Exact Mass3363.8986048
Monoisotopic Mass3362.8952500
Topological Polar Surface Area1400 Ų
Heavy Atom Count239
Formal Charge0
Complexity7690
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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4205-vPTH-rP (Human, 1-34 Amide)
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N-1110.1000(Tyr34)-pTH (7-34) amide (bovine)
CCP1519-01[Tyr34]-pTH (7-34) amide (Bovine)
4031202.1000(Tyr³⁴) -pTH (7-34) amide (bovine)
4031202.05(Tyr³⁴)-pTH (7-34) amide (bovine)
E-PP-0348-01[Tyr34]-pTH (7-34), amide, bovine
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