4-azanyl-6-methyl-1-[(2-methyl-4-oxidanylidene-4-phenylmethoxy-butan-2-yl)amino]-3-oxidanyl-2-oxidanylidene-heptane-3-sulfonic acid

Systemtic Name: 4-azanyl-6-methyl-1-[(2-methyl-4-oxidanylidene-4-phenylmethoxy-butan-2-yl)amino]-3-oxidanyl-2-oxidanylidene-heptane-3-sulfonic acid Openeye Name: 4-amino-1-[(3-benzyloxy-1,1-dimethyl-3-oxo-propyl)amino]-3-hydroxy-6-methyl-2-oxo-heptane-3-sulfonic acid CAS Name: 4-amino-3-hydroxy-6-methyl-1-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]-2-oxo-3-heptanesulfonic acid IUPAC Name: 4-amino-3-hydroxy-6-methyl-1-[(2-methyl-4-oxo-4-phenylmethoxybutan-2-yl)amino]-2-oxoheptane-3-sulfonic acid Traditional Name: 4-amino-1-[(3-benzoxy-3-keto-1,1-dimethyl-propyl)amino]-3-hydroxy-2-keto-6-methyl-heptane-3-sulfonic acid Formula: C20H32N2O7S MolecularWeight: 444.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)CNC(C)(C)CC(=O)OCC1=CC=CC=C1)(O)S(=O)(=O)O)N

Isomeric SMILES

CC(C)CC(C(C(=O)CNC(C)(C)CC(=O)OCC1=CC=CC=C1)(O)S(=O)(=O)O)N

InChI

InChI=1S/C20H32N2O7S/c1-14(2)10-16(21)20(25,30(26,27)28)17(23)12-22-19(3,4)11-18(24)29-13-15-8-6-5-7-9-15/h5-9,14,16,22,25H,10-13,21H2,1-4H3,(H,26,27,28)