(6S)-7-methoxy-2-methylidene-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: (6S)-7-methoxy-2-methylidene-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: (6S)-6-(benzyloxycarbonylamino)-7-methoxy-2-methylene-7-oxo-heptanoic acid CAS Name: (6S)-7-methoxy-2-methylene-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: (6S)-7-methoxy-2-methylidene-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: 2-[(4S)-4-(benzyloxycarbonylamino)-5-keto-5-methoxy-pentyl]acrylic acid Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC(=C)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CCCC(=C)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H21NO6/c1-12(15(19)20)7-6-10-14(16(21)23-2)18-17(22)24-11-13-8-4-3-5-9-13/h3-5,8-9,14H,1,6-7,10-11H2,2H3,(H,18,22)(H,19,20)/t14-/m0/s1