4-(3,3-dimethylpiperidin-1-yl)carbonyl-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3,3-dimethylpiperidin-1-yl)carbonyl-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3,3-dimethylpiperidine-1-carbonyl)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-1-[2-[[(3-ethoxycarbonylanilino)-oxomethyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3,3-dimethylpiperidine-1-carbonyl)-1-[2-[(3-ethoxycarbonylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-carbethoxyphenyl)carbamoylamino]acetyl]-4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenyl-proline Formula: C31H38N4O7 MolecularWeight: 578.65602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC(=O)N2C(CC(C2C3=CC=CC=C3)C(=O)N4CCCC(C4)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC(=O)N2C(CC(C2C3=CC=CC=C3)C(=O)N4CCCC(C4)(C)C)C(=O)O

InChI

InChI=1S/C31H38N4O7/c1-4-42-29(40)21-12-8-13-22(16-21)33-30(41)32-18-25(36)35-24(28(38)39)17-23(26(35)20-10-6-5-7-11-20)27(37)34-15-9-14-31(2,3)19-34/h5-8,10-13,16,23-24,26H,4,9,14-15,17-19H2,1-3H3,(H,38,39)(H2,32,33,41)