5-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-4-[(3-chlorophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-4-[(3-chlorophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-4-[(3-chlorobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-4-[[(3-chlorophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-4-[(3-chlorobenzoyl)amino]-5-keto-valeric acid Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CNC(CC2C1)C(=O)C(CCC(=O)O)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC2CNC(CC2C1)C(=O)C(CCC(=O)O)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H27ClN2O4/c22-16-7-3-6-14(10-16)21(28)24-17(8-9-19(25)26)20(27)18-11-13-4-1-2-5-15(13)12-23-18/h3,6-7,10,13,15,17-18,23H,1-2,4-5,8-9,11-12H2,(H,24,28)(H,25,26)