(3S)-3-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: (3S)-3-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: (3S)-3-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: (3S)-3-[[2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: (3S)-3-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: (3S)-2-keto-3-[[2-(p-anisyloxycarbonylamino)-2-phenyl-acetyl]amino]azetidine-1-sulfonic acid Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)NC3CN(C3=O)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3CN(C3=O)S(=O)(=O)O

InChI

InChI=1S/C20H21N3O8S/c1-30-15-9-7-13(8-10-15)12-31-20(26)22-17(14-5-3-2-4-6-14)18(24)21-16-11-23(19(16)25)32(27,28)29/h2-10,16-17H,11-12H2,1H3,(H,21,24)(H,22,26)(H,27,28,29)/t16-,17?/m0/s1