(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxidanylidene-1-phenyl-ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxidanylidene-1-phenyl-ethyl]pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxo-1-phenyl-ethyl]pyrrolidine-3-carboxylic acid CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxo-1-phenylethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-3-carboxylic acid Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[methyl(propyl)amino]-1-phenyl-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C(=O)C(C1=CC=CC=C1)N2CC(C(C2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN(C)C(=O)C(C1=CC=CC=C1)N2C[C@@H]([C@@H]([C@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H34N2O6/c1-4-16-32(2)30(34)29(20-8-6-5-7-9-20)33-18-24(22-12-15-25-26(17-22)39-19-38-25)27(31(35)36)28(33)21-10-13-23(37-3)14-11-21/h5-15,17,24,27-29H,4,16,18-19H2,1-3H3,(H,35,36)/t24-,27+,28-,29?/m1/s1