Cyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)
[CAS# 143084-70-2]

Identification

• Name: Cyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)
• Synonyms: (3S)-4-[[(2S)-2-[[(2R)-2-Acetamido-3-Sulfanyl-Propanoyl]Amino]-4-Amino-4-Oxo-Butanoyl]-[(1R)-2-Hydroxy-1-Methanethioyl-2-Oxo-Ethyl]Amino]-3-[[2-[(2S)-2-Amino-3-[4-Amino-3,3-Dimethyl-4-(Thiazolidine-2-Carbonyl)-1-Cyclohexa-1,5-Dienyl]Propanoyl]Iminoacetyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(2S)-2-[[(2R)-2-Acetamido-3-Mercapto-1-Oxopropyl]Amino]-4-Amino-1,4-Dioxobutyl]-[(1R)-2-Hydroxy-1-Methanethioyl-2-Oxoethyl]Amino]-3-[[2-[(2S)-2-Amino-3-[4-Amino-3,3-Dimethyl-4-[Oxo-(2-Thiazolidinyl)Methyl]-1-Cyclohexa-1,5-Dienyl]-1-Oxopropyl]Imino-1-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(2S)-2-[[(2R)-2-Acetamido-3-Mercapto-Propanoyl]Amino]-4-Amino-4-Keto-Butanoyl]-[(1R)-2-Hydroxy-2-Keto-1-Thioformyl-Ethyl]Amino]-3-[[2-[(2S)-2-Amino-3-[4-Amino-3,3-Dimethyl-4-(Thiazolidine-2-Carbonyl)-1-Cyclohexa-1,5-Dienyl]Propanoyl]Iminoacetyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₃H₄₅N₉O₁₂S₃
• Molecular Weight: 855.95
• CAS Registry Number: 143084-70-2
• SMILES: [C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CS)CC(=O)N)C(=O)[C@@H](NC(=O)C=NC(=O)[C@@H](N)CC2=CC(C(N)(C(=O)C1SCCN1)C=C2)(C)C)CC(=O)O)(C(=O)O)C=S
• InChI: 1S/C33H45N9O12S3/c1-15(43)39-20(13-55)27(50)41-18(9-22(35)44)29(51)42(21(14-56)31(53)54)30(52)19(10-24(46)47)40-23(45)12-38-26(49)17(34)8-16-4-5-33(36,32(2,3)11-16)25(48)28-37-6-7-57-28/h4-5,11-12,14,17-21,28,37,55H,6-10,13,34,36H2,1-3H3,(H2,35,44)(H,39,43)(H,40,45)(H,41,50)(H,46,47)(H,53,54)/t17-,18-,19-,20-,21-,28?,33?/m0/s1
• InChIKey: UDZHUQMVVWWJPN-YUSQJHAHSA-N

Properties

• Density: 1.595g/cm³ (Cal.)