(3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-(3-pyridin-3-ylpropanoyloxy)pentanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-(3-pyridin-3-ylpropanoyloxy)pentanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-oxo-5-[3-(3-pyridyl)propanoyloxy]pentanoic acid CAS Name: (3S)-4-oxo-5-[1-oxo-3-(3-pyridinyl)propoxy]-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (3S)-4-oxo-3-(phenylmethoxycarbonylamino)-5-(3-pyridin-3-ylpropanoyloxy)pentanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-keto-5-[3-(3-pyridyl)propanoyloxy]valeric acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)COC(=O)CCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)CCC2=CN=CC=C2

InChI

InChI=1S/C21H22N2O7/c24-18(14-29-20(27)9-8-15-7-4-10-22-12-15)17(11-19(25)26)23-21(28)30-13-16-5-2-1-3-6-16/h1-7,10,12,17H,8-9,11,13-14H2,(H,23,28)(H,25,26)/t17-/m0/s1