methyl (2S)-3,5-dimethanoyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-3,5-dimethanoyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-3,5-diformyl-pyrrolidine-2-carboxylate CAS Name: (2S)-3,5-diformyl-1-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-3,5-diformyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-3,5-diformyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CC(C1C(=O)OC)C=O)C=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1[C@@H](C(CC1C=O)C=O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O7/c1-13(2)17(22-21(28)30-12-14-7-5-4-6-8-14)19(26)23-16(11-25)9-15(10-24)18(23)20(27)29-3/h4-8,10-11,13,15-18H,9,12H2,1-3H3,(H,22,28)/t15?,16?,17-,18-/m0/s1