5-[3-cyclohexylpropyl(methyl)amino]-4-[(5-methanoyl-6-phosphonooxy-naphthalen-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-cyclohexylpropyl(methyl)amino]-4-[(5-methanoyl-6-phosphonooxy-naphthalen-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-cyclohexylpropyl(methyl)amino]-4-[(5-formyl-6-phosphonooxy-naphthalene-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[3-cyclohexylpropyl(methyl)amino]-4-[[(5-formyl-6-phosphonooxy-2-naphthalenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[3-cyclohexylpropyl(methyl)amino]-4-[(5-formyl-6-phosphonooxynaphthalene-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-[3-cyclohexylpropyl(methyl)amino]-4-[(5-formyl-6-phosphonooxy-2-naphthoyl)amino]-5-keto-valeric acid Formula: C27H35N2O9P MolecularWeight: 562.548561

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1CCCCC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC3=C(C=C2)C(=C(C=C3)OP(=O)(O)O)C=O

Isomeric SMILES

CN(CCCC1CCCCC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC3=C(C=C2)C(=C(C=C3)OP(=O)(O)O)C=O

InChI

InChI=1S/C27H35N2O9P/c1-29(15-5-8-18-6-3-2-4-7-18)27(34)23(12-14-25(31)32)28-26(33)20-9-11-21-19(16-20)10-13-24(22(21)17-30)38-39(35,36)37/h9-11,13,16-18,23H,2-8,12,14-15H2,1H3,(H,28,33)(H,31,32)(H2,35,36,37)