3-[(4-hydroxyphenyl)carbonylamino]-4-naphthalen-1-ylcarbonyloxy-2-[4-(2-oxidanylphenoxy)sulfonylphenyl]carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-naphthalen-1-ylcarbonyloxy-2-[4-(2-oxidanylphenoxy)sulfonylphenyl]carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-2-[4-(2-hydroxyphenoxy)sulfonylbenzoyl]oxy-4-(naphthalene-1-carbonyloxy)azepane-1-carboxylic acid CAS Name: 2-[[4-(2-hydroxyphenoxy)sulfonylphenyl]-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[1-naphthalenyl(oxo)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-2-[4-(2-hydroxyphenoxy)sulfonylbenzoyl]oxy-4-(naphthalene-1-carbonyloxy)azepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-2-[4-(2-hydroxyphenoxy)sulfonylbenzoyl]oxy-4-(1-naphthoyloxy)azepane-1-carboxylic acid Formula: C38H32N2O12S MolecularWeight: 740.73188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(N(C1)C(=O)O)OC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3O)NC(=O)C4=CC=C(C=C4)O)OC(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CC(C(C(N(C1)C(=O)O)OC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3O)NC(=O)C4=CC=C(C=C4)O)OC(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C38H32N2O12S/c41-26-18-14-24(15-19-26)34(43)39-33-32(50-37(45)29-10-5-8-23-7-1-2-9-28(23)29)13-6-22-40(38(46)47)35(33)51-36(44)25-16-20-27(21-17-25)53(48,49)52-31-12-4-3-11-30(31)42/h1-5,7-12,14-21,32-33,35,41-42H,6,13,22H2,(H,39,43)(H,46,47)