(1R)-2-[2-[[(2S)-2-carboxycyclohexyl]carbonyl-phenyl-amino]ethyl-phenyl-carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R)-2-[2-[[(2S)-2-carboxycyclohexyl]carbonyl-phenyl-amino]ethyl-phenyl-carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R)-2-[2-(N-[(2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenyl-carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R)-2-[[N-[2-(N-[[(2S)-2-carboxycyclohexyl]-oxomethyl]anilino)ethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R)-2-[2-(N-[(2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R)-2-[2-(N-[(2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenyl-carbamoyl]cyclohexanecarboxylic acid Formula: C30H36N2O6 MolecularWeight: 520.61664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N(CCN(C2=CC=CC=C2)C(=O)C3CCCCC3C(=O)O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC([C@@H](C1)C(=O)O)C(=O)N(CCN(C2=CC=CC=C2)C(=O)C3CCCC[C@@H]3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H36N2O6/c33-27(23-15-7-9-17-25(23)29(35)36)31(21-11-3-1-4-12-21)19-20-32(22-13-5-2-6-14-22)28(34)24-16-8-10-18-26(24)30(37)38/h1-6,11-14,23-26H,7-10,15-20H2,(H,35,36)(H,37,38)/t23?,24?,25-,26+