L-Cysteinyl-L-alpha-Aspartyl-L-Prolylglycyl-L-Tyrosyl-L-Isoleucylglycyl-L-Seryl-L-Argininamide
[CAS# 110590-61-9]

Identification

• Name: L-Cysteinyl-L-alpha-Aspartyl-L-Prolylglycyl-L-Tyrosyl-L-Isoleucylglycyl-L-Seryl-L-Argininamide
• Synonyms: (3S)-3-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]-4-[(2S)-2-[[2-[[(1S)-2-[[(1S,2S)-1-[[2-[[(1S)-2-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Oxo-Butanoic Acid; (3S)-3-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-4-[(2S)-2-[[[2-[[(1S)-2-[[(1S,2S)-1-[[[2-[[(1S)-2-[[(1S)-1-Carbamoyl-4-Guanidinobutyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-4-Oxobutanoic Acid; (3S)-3-[[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]-4-[(2S)-2-[[2-[[(1S)-2-[[(1S,2S)-1-[[2-[[(1S)-2-[[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-4-Keto-Butyric Acid
• Molecular Formula: C₄₀H₆₃N₁₃O₁₃S
• Molecular Weight: 966.08
• CAS Registry Number: 110590-61-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N)CS)CC(O)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CO)CC2=CC=C(O)C=C2
• InChI: 1S/C40H63N13O13S/c1-3-20(2)32(38(65)47-17-30(57)49-27(18-54)36(63)50-24(33(42)60)6-4-12-45-40(43)44)52-35(62)25(14-21-8-10-22(55)11-9-21)48-29(56)16-46-37(64)28-7-5-13-53(28)39(66)26(15-31(58)59)51-34(61)23(41)19-67/h8-11,20,23-28,32,54-55,67H,3-7,12-19,41H2,1-2H3,(H2,42,60)(H,46,64)(H,47,65)(H,48,56)(H,49,57)(H,50,63)(H,51,61)(H,52,62)(H,58,59)(H4,43,44,45)/t20-,23-,24-,25-,26-,27-,28-,32-/m0/s1
• InChIKey: XJRPQJYLNDRHQD-JDIVNGTKSA-N

Properties

• Density: 1.549g/cm³ (Cal.)