[(2S)-1-[(2S)-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2H-pyrrol-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: [(2S)-1-[(2S)-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2H-pyrrol-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxylate Openeye Name: [(1S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrole-1-carbonyl]-2-methyl-propyl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-1-[[(2S)-1-[(2S)-3-methyl-2-(methylamino)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid [(2S)-1-[(2S)-3-methoxy-5-oxo-2-(phenylmethyl)-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]prolyl]pyrrolidine-2-carboxylic acid [(1S)-1-[(2S)-2-benzyl-5-keto-3-methoxy-3-pyrroline-1-carbonyl]-2-methyl-propyl] ester Formula: C45H68N6O9 MolecularWeight: 837.05622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1(CCCN1C(=O)C2CCCN2C(=O)C(C(C)C)NC)C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[C@]1(CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC)C(=O)O[C@@H](C(C)C)C(=O)N3[C@H](C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N(C)C

InChI

InChI=1S/C45H68N6O9/c1-26(2)35(47-40(54)37(28(5)6)48(10)11)39(53)45(21-17-23-50(45)41(55)31-20-16-22-49(31)42(56)36(46-9)27(3)4)44(58)60-38(29(7)8)43(57)51-32(33(59-12)25-34(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-32,35-38,46H,16-17,20-24H2,1-12H3,(H,47,54)/t31-,32-,35-,36-,37-,38-,45+/m0/s1