(2S)-2-cyclohexyl-2-[[3-[(2-ethyl-6-methyl-phenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]ethanoic acid

Systemtic Name: (2S)-2-cyclohexyl-2-[[3-[(2-ethyl-6-methyl-phenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]ethanoic acid Openeye Name: (2S)-2-cyclohexyl-2-[[3-[(2-ethyl-6-methyl-phenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid CAS Name: (2S)-2-cyclohexyl-2-[[[3-[[(2-ethyl-6-methylanilino)-oxomethyl]amino]-2-naphthalenyl]-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-cyclohexyl-2-[[3-[(2-ethyl-6-methylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid Traditional Name: (2S)-2-cyclohexyl-2-[[3-[(2-ethyl-6-methyl-phenyl)carbamoylamino]-2-naphthoyl]amino]acetic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC(C4CCCCC4)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)N[C@@H](C4CCCCC4)C(=O)O)C

InChI

InChI=1S/C29H33N3O4/c1-3-19-15-9-10-18(2)25(19)32-29(36)30-24-17-22-14-8-7-13-21(22)16-23(24)27(33)31-26(28(34)35)20-11-5-4-6-12-20/h7-10,13-17,20,26H,3-6,11-12H2,1-2H3,(H,31,33)(H,34,35)(H2,30,32,36)/t26-/m0/s1