1-[2-[(1-carboxypyrrolidin-2-yl)methylamino]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-pyridin-4-yl-indole-6-carboxylic acid

Systemtic Name: 1-[2-[(1-carboxypyrrolidin-2-yl)methylamino]-2-oxidanylidene-ethyl]-3-cyclohexyl-2-pyridin-4-yl-indole-6-carboxylic acid Openeye Name: 1-[2-[(1-carboxypyrrolidin-2-yl)methylamino]-2-oxo-ethyl]-3-cyclohexyl-2-(4-pyridyl)indole-6-carboxylic acid CAS Name: 1-[2-[(1-carboxy-2-pyrrolidinyl)methylamino]-2-oxoethyl]-3-cyclohexyl-2-pyridin-4-yl-6-indolecarboxylic acid IUPAC Name: 1-[2-[(1-carboxypyrrolidin-2-yl)methylamino]-2-oxoethyl]-3-cyclohexyl-2-pyridin-4-ylindole-6-carboxylic acid Traditional Name: 1-[2-[(1-carboxypyrrolidin-2-yl)methylamino]-2-keto-ethyl]-3-cyclohexyl-2-(4-pyridyl)indole-6-carboxylic acid Formula: C28H32N4O5 MolecularWeight: 504.57748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4CCCN4C(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4CCCN4C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C28H32N4O5/c33-24(30-16-21-7-4-14-31(21)28(36)37)17-32-23-15-20(27(34)35)8-9-22(23)25(18-5-2-1-3-6-18)26(32)19-10-12-29-13-11-19/h8-13,15,18,21H,1-7,14,16-17H2,(H,30,33)(H,34,35)(H,36,37)