5-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-5-[(1-ethoxycarbonyl-3-methyl-butyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-5-[(1-carbethoxy-3-methyl-butyl)amino]-5-keto-valeric acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O7/c1-4-29-20(27)17(12-14(2)3)22-19(26)16(10-11-18(24)25)23-21(28)30-13-15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,22,26)(H,23,28)(H,24,25)