2-[[[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]-phenyl-amino]methyl]pentanoic acid

Systemtic Name: 2-[[[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]-phenyl-amino]methyl]pentanoic acid Openeye Name: 2-[(N-[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]anilino)methyl]pentanoic acid CAS Name: 2-[(N-[[ethyl-[2-(1-oxohexylamino)cyclohexyl]amino]-oxomethyl]anilino)methyl]pentanoic acid IUPAC Name: 2-[(N-[ethyl-[2-(hexanoylamino)cyclohexyl]carbamoyl]anilino)methyl]pentanoic acid Traditional Name: 2-[(N-[[2-(caproylamino)cyclohexyl]-ethyl-carbamoyl]anilino)methyl]valeric acid Formula: C27H43N3O4 MolecularWeight: 473.64802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1CCCCC1N(CC)C(=O)N(CC(CCC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC1CCCCC1N(CC)C(=O)N(CC(CCC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C27H43N3O4/c1-4-7-9-19-25(31)28-23-17-12-13-18-24(23)29(6-3)27(34)30(22-15-10-8-11-16-22)20-21(14-5-2)26(32)33/h8,10-11,15-16,21,23-24H,4-7,9,12-14,17-20H2,1-3H3,(H,28,31)(H,32,33)