2-azanyl-6-methyl-3-oxidanyl-4-oxidanylidene-1-phenyl-5-(phenylmethoxycarbonylamino)heptane-3-sulfonic acid

Systemtic Name: 2-azanyl-6-methyl-3-oxidanyl-4-oxidanylidene-1-phenyl-5-(phenylmethoxycarbonylamino)heptane-3-sulfonic acid Openeye Name: 2-amino-5-(benzyloxycarbonylamino)-3-hydroxy-6-methyl-4-oxo-1-phenyl-heptane-3-sulfonic acid CAS Name: 2-amino-3-hydroxy-6-methyl-4-oxo-1-phenyl-5-(phenylmethoxycarbonylamino)-3-heptanesulfonic acid IUPAC Name: 2-amino-3-hydroxy-6-methyl-4-oxo-1-phenyl-5-(phenylmethoxycarbonylamino)heptane-3-sulfonic acid Traditional Name: 2-amino-5-(benzyloxycarbonylamino)-3-hydroxy-4-keto-6-methyl-1-phenyl-heptane-3-sulfonic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(CC1=CC=CC=C1)N)(O)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)C(C(CC1=CC=CC=C1)N)(O)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O7S/c1-15(2)19(24-21(26)31-14-17-11-7-4-8-12-17)20(25)22(27,32(28,29)30)18(23)13-16-9-5-3-6-10-16/h3-12,15,18-19,27H,13-14,23H2,1-2H3,(H,24,26)(H,28,29,30)