1-(2-azanylethanoyl)-4-(3,3-dimethylpiperidin-1-yl)carbonyl-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanylethanoyl)-4-(3,3-dimethylpiperidin-1-yl)carbonyl-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-aminoacetyl)-4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxoethyl)-4-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-aminoacetyl)-4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3,3-dimethylpiperidine-1-carbonyl)-1-glycyl-5-phenyl-proline Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CN)C(=O)O)C

Isomeric SMILES

CC1(CCCN(C1)C(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CN)C(=O)O)C

InChI

InChI=1S/C21H29N3O4/c1-21(2)9-6-10-23(13-21)19(26)15-11-16(20(27)28)24(17(25)12-22)18(15)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,6,9-13,22H2,1-2H3,(H,27,28)