3-azanyl-4-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[benzyloxycarbonyl-[(3-methoxy-4,5-dihydroisoxazol-5-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-methoxy-4,5-dihydroisoxazol-5-yl)methyl-phenylmethoxycarbonylamino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(3-methoxy-4,5-dihydro-1,2-oxazol-5-yl)methyl-phenylmethoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[carbobenzoxy-[(3-methoxy-2-isoxazolin-5-yl)methyl]amino]-4-keto-butyric acid Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NOC(C1)CN(C(=O)C(CC(=O)O)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=NOC(C1)CN(C(=O)C(CC(=O)O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O7/c1-25-14-7-12(27-19-14)9-20(16(23)13(18)8-15(21)22)17(24)26-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10,18H2,1H3,(H,21,22)