(2S)-1-[(2R)-2-[[(2S,3R)-2-[(2-Amino-3-Hydroxy-4-Methylbenzoyl)Amino]-3-Hydroxybutanoyl]Amino]-3-Methylbut-3-Enoyl]-N,5-Dimethyl-N-[2-[Methyl-[(2S)-3-Methyl-1-Oxobutan-2-Yl]Amino]-2-Oxoethyl]Pyrrolidine-2-Carboxamide
[CAS# 141912-59-6]

Identification

• Name: (2S)-1-[(2R)-2-[[(2S,3R)-2-[(2-Amino-3-Hydroxy-4-Methylbenzoyl)Amino]-3-Hydroxybutanoyl]Amino]-3-Methylbut-3-Enoyl]-N,5-Dimethyl-N-[2-[Methyl-[(2S)-3-Methyl-1-Oxobutan-2-Yl]Amino]-2-Oxoethyl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-1-[(2R)-2-[[(2S,3R)-2-[(2-Amino-3-Hydroxy-4-Methyl-Benzoyl)Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-But-3-Enoyl]-N-[2-[[(1S)-1-Formyl-2-Methyl-Propyl]-Methyl-Amino]-2-Oxo-Ethyl]-N,5-Dimethyl-Pyrrolidine-2-Carboxamide; (2S)-1-[(2R)-2-[[(2S,3R)-2-[[(2-Amino-3-Hydroxy-4-Methylphenyl)-Oxomethyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Methyl-1-Oxobut-3-Enyl]-N-[2-[[(1S)-1-Formyl-2-Methylpropyl]-Methylamino]-2-Oxoethyl]-N,5-Dimethyl-2-Pyrrolidinecarboxamide; (2S)-1-[(2R)-2-[[(2S,3R)-2-[(2-Amino-3-Hydroxy-4-Methyl-Benzoyl)Amino]-3-Hydroxy-Butanoyl]Amino]-3-Methyl-But-3-Enoyl]-N-[2-[[(1S)-1-Formyl-2-Methyl-Propyl]-Methyl-Amino]-2-Keto-Ethyl]-N,5-Dimethyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₂H₄₈N₆O₈
• Molecular Weight: 644.77
• CAS Registry Number: 141912-59-6
• SMILES: [C@@H]2(N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=CC=C(C(=C1N)O)C)[C@H](O)C)C(=C)C)C(CC2)C)C(=O)N(CC(=O)N([C@@H](C(C)C)C=O)C)C
• InChI: 1S/C32H48N6O8/c1-16(2)23(15-39)37(9)24(41)14-36(8)31(45)22-13-11-19(6)38(22)32(46)26(17(3)4)34-30(44)27(20(7)40)35-29(43)21-12-10-18(5)28(42)25(21)33/h10,12,15-16,19-20,22-23,26-27,40,42H,3,11,13-14,33H2,1-2,4-9H3,(H,34,44)(H,35,43)/t19?,20-,22+,23-,26-,27+/m1/s1
• InChIKey: XZQTTYYQLUHMIZ-ZEVMZUSBSA-N