4-[1-hydroxyethyl(4-methylpentyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[1-hydroxyethyl(4-methylpentyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[1-hydroxyethyl(isohexyl)amino]-4-oxo-butanoic acid CAS Name: 4-[1-hydroxyethyl(4-methylpentyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[1-hydroxyethyl(4-methylpentyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[1-hydroxyethyl(isohexyl)amino]-4-keto-butyric acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN(C(C)O)C(=O)C(CC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCN(C(C)O)C(=O)C(CC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O6/c1-14(2)8-7-11-22(15(3)23)19(26)17(12-18(24)25)21-20(27)28-13-16-9-5-4-6-10-16/h4-6,9-10,14-15,17,23H,7-8,11-13H2,1-3H3,(H,21,27)(H,24,25)