5-[[4-(2-aminocarbonylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonyl-ethyl-amino]benzene-1,3-dicarboxylic acid; pentadecylcyclopropane

Systemtic Name: 5-[[4-(2-aminocarbonylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonyl-ethyl-amino]benzene-1,3-dicarboxylic acid; pentadecylcyclopropane Openeye Name: 5-[[4-(2-carbamoylphenyl)sulfanyl-1-hydroxy-naphthalene-2-carbonyl]-ethyl-amino]benzene-1,3-dicarboxylic acid; pentadecylcyclopropane CAS Name: 5-[[[4-[(2-carbamoylphenyl)thio]-1-hydroxy-2-naphthalenyl]-oxomethyl]-ethylamino]benzene-1,3-dicarboxylic acid; pentadecylcyclopropane IUPAC Name: 5-[[4-(2-carbamoylphenyl)sulfanyl-1-hydroxynaphthalene-2-carbonyl]-ethylamino]benzene-1,3-dicarboxylic acid; pentadecylcyclopropane Traditional Name: 5-[[4-[(2-carbamoylphenyl)thio]-1-hydroxy-2-naphthoyl]-ethyl-amino]isophthalic acid; pentadecylcyclopropane Formula: C46H58N2O7S MolecularWeight: 783.02692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CC1.CCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=CC=C4C(=O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1CC1.CCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=CC=C4C(=O)N)O

InChI

InChI=1S/C28H22N2O7S.C18H36/c1-2-30(17-12-15(27(34)35)11-16(13-17)28(36)37)26(33)21-14-23(18-7-3-4-8-19(18)24(21)31)38-22-10-6-5-9-20(22)25(29)32;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18/h3-14,31H,2H2,1H3,(H2,29,32)(H,34,35)(H,36,37);18H,2-17H2,1H3