(2S)-2-[[3-[(cyclopentylamino)methyl]phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[3-[(cyclopentylamino)methyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[3-[(cyclopentylamino)methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[3-[(cyclopentylamino)methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[3-[(cyclopentylamino)methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[3-[(cyclopentylamino)methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)CNC2CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)CNC2CCCC2

InChI

InChI=1S/C18H26N2O3/c1-12(2)16(18(22)23)20-17(21)14-7-5-6-13(10-14)11-19-15-8-3-4-9-15/h5-7,10,12,15-16,19H,3-4,8-9,11H2,1-2H3,(H,20,21)(H,22,23)/t16-/m0/s1