methyl (2R)-1-[2-[[(2R,3R)-3-benzamido-4-ethoxy-4-oxidanylidene-2-phenyl-butanoyl]amino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[2-[[(2R,3R)-3-benzamido-4-ethoxy-4-oxidanylidene-2-phenyl-butanoyl]amino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-[2-[[(2R,3R)-3-benzamido-4-ethoxy-4-oxo-2-phenyl-butanoyl]amino]acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[2-[[(2R,3R)-3-benzamido-4-ethoxy-1,4-dioxo-2-phenylbutyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[2-[[(2R,3R)-3-benzamido-4-ethoxy-4-oxo-2-phenylbutanoyl]amino]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-[[(2R,3R)-3-benzamido-4-ethoxy-4-keto-2-phenyl-butanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C(=O)NCC(=O)N2CCCC2C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CC=CC=C1)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O7/c1-3-37-27(35)23(29-24(32)19-13-8-5-9-14-19)22(18-11-6-4-7-12-18)25(33)28-17-21(31)30-16-10-15-20(30)26(34)36-2/h4-9,11-14,20,22-23H,3,10,15-17H2,1-2H3,(H,28,33)(H,29,32)/t20-,22-,23-/m1/s1