benzoic acid; 2,5-bis(azanyl)-N-[(2S)-1-phenylpropan-2-yl]pentanamide

Systemtic Name: benzoic acid; 2,5-bis(azanyl)-N-[(2S)-1-phenylpropan-2-yl]pentanamide Openeye Name: benzoic acid; 2,5-diamino-N-[(1S)-1-methyl-2-phenyl-ethyl]pentanamide CAS Name: benzoic acid; 2,5-diamino-N-[(2S)-1-phenylpropan-2-yl]pentanamide IUPAC Name: benzoic acid; 2,5-diamino-N-[(2S)-1-phenylpropan-2-yl]pentanamide Traditional Name: benzoic acid; 2,5-diamino-N-[(1S)-1-methyl-2-phenyl-ethyl]valeramide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)C(CCCN)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)NC(=O)C(CCCN)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H23N3O.C7H6O2/c1-11(10-12-6-3-2-4-7-12)17-14(18)13(16)8-5-9-15;8-7(9)6-4-2-1-3-5-6/h2-4,6-7,11,13H,5,8-10,15-16H2,1H3,(H,17,18);1-5H,(H,8,9)/t11-,13?;/m0./s1