(2S)-4-methyl-2-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]pentanoic acid Openeye Name: (2S)-2-[[2-[benzyl(isopropyl)amino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[benzyl(isopropyl)amino]acetyl]amino]-4-methyl-valeric acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN(CC1=CC=CC=C1)C(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CN(CC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C18H28N2O3/c1-13(2)10-16(18(22)23)19-17(21)12-20(14(3)4)11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,19,21)(H,22,23)/t16-/m0/s1