1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2,4-ile-argipressin
[CAS# 103529-95-9]

Identification

• Name: 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2,4-ile-argipressin
• Synonyms: (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-(Sulfanylmethyl)Ethyl]-2-[[(2R,3R)-3-Methyl-2-[[(2S)-2-[[(2S,3S)-3-Methyl-2-[[2-(2-Thioxocyclohexyl)Acetyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanoyl]Amino]Butanediamide; (2S)-N-[(1R)-2-[(2S)-2-[[[(1S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(Mercaptomethyl)-2-Oxoethyl]-2-[[(2R,3R)-3-Methyl-2-[[(2S)-2-[[(2S,3S)-3-Methyl-1-Oxo-2-[[1-Oxo-2-(2-Thioxocyclohexyl)Ethyl]Amino]Pentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopentyl]Amino]Butanediamide; (2S)-N-[(1R)-2-[(2S)-2-[[(1S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-(Mercaptomethyl)Ethyl]-2-[[(2R,3R)-3-Methyl-2-[[(2S)-2-[[(2S,3S)-3-Methyl-2-[[2-(2-Thioxocyclohexyl)Acetyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanoyl]Amino]Succinamide
• Molecular Formula: C₄₉H₇₇N₁₃O₁₀S₂
• Molecular Weight: 1072.35
• CAS Registry Number: 103529-95-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC2CCCCC2=S)[C@H](CC)C)CC3=CC=CC=C3)[C@@H](CC)C)CC(=O)N)CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
• InChI: 1S/C49H77N13O10S2/c1-5-27(3)40(60-39(65)23-30-16-10-11-19-36(30)74)46(70)57-32(22-29-14-8-7-9-15-29)44(68)61-41(28(4)6-2)47(71)58-33(24-37(50)63)43(67)59-34(26-73)48(72)62-21-13-18-35(62)45(69)56-31(17-12-20-54-49(52)53)42(66)55-25-38(51)64/h7-9,14-15,27-28,30-35,40-41,73H,5-6,10-13,16-26H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t27-,28+,30?,31-,32-,33-,34-,35-,40-,41+/m0/s1
• InChIKey: CNWFVLCMGVAHSD-HAEBMLOOSA-N

Properties

• Density: 1.422g/cm³ (Cal.)