Phenylalanyl-glutaminyl-valyl-valyl-S-(3-nitro-2-pyridinesulfenyl)cysteinyl-glycinamide
[CAS# 128102-74-9]

Identification

• Name: Phenylalanyl-glutaminyl-valyl-valyl-S-(3-nitro-2-pyridinesulfenyl)cysteinyl-glycinamide
• Synonyms: (2S)-N-[(1S)-1-[[(1S)-1-[[2-[[(2R)-2-Amino-3-[(3-Nitro-2-Pyridyl)Disulfanyl]Propanoyl]Amino]Acetyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-1-[[[(1S)-1-[[[2-[[(2R)-2-Amino-3-[(3-Nitro-2-Pyridyl)Disulfanyl]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-2-Methylpropyl]-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]Pentanediamide; (2S)-N-[(1S)-1-[[(1S)-1-[[2-[[(2R)-2-Amino-3-[(3-Nitro-2-Pyridyl)Disulfanyl]Propanoyl]Amino]Acetyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Glutaramide
• Molecular Formula: C₃₄H₄₈N₁₀O₉S₂
• Molecular Weight: 804.93
• CAS Registry Number: 128102-74-9
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCC(=O)N)(C(=O)N[C@H](C(=O)NC(=O)CNC(=O)[C@@H](N)CSSC2=NC=CC=C2[N+]([O-])=O)C(C)C)C(C)C
• InChI: 1S/C34H48N10O9S2/c1-18(2)27(32(50)41-26(46)16-39-29(47)22(36)17-54-55-34-24(44(52)53)11-8-14-38-34)43-33(51)28(19(3)4)42-31(49)23(12-13-25(37)45)40-30(48)21(35)15-20-9-6-5-7-10-20/h5-11,14,18-19,21-23,27-28H,12-13,15-17,35-36H2,1-4H3,(H2,37,45)(H,39,47)(H,40,48)(H,42,49)(H,43,51)(H,41,46,50)/t21-,22-,23-,27-,28-/m0/s1
• InChIKey: HYMUACWIBKMEBD-ZCBIBPQVSA-N
• Protein Sequence: H-Phe-Gln-Val-Val-Cys(NPys)-Gly-NH2