(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide hydrochloride

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide hydrochloride Openeye Name: (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide hydrochloride CAS Name: (2S)-2-[[(2S)-2-azanyl-3-methyl-1-oxobutyl]amino]-4-methyl-N-phenylpentanamide hydrochloride IUPAC Name: (2S)-2-[[(2S)-2-azanyl-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide hydrochloride Traditional Name: (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-valeramide hydrochloride Formula: C17H28ClN3O2 MolecularWeight: 347.832803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C(C)C)N.Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)N[13C](=O)[13C@H]([13CH]([13CH3])[13CH3])[15NH2].Cl

InChI

InChI=1S/C17H27N3O2.ClH/c1-11(2)10-14(20-17(22)15(18)12(3)4)16(21)19-13-8-6-5-7-9-13;/h5-9,11-12,14-15H,10,18H2,1-4H3,(H,19,21)(H,20,22);1H/t14-,15-;/m0./s1/i3+1,4+1,12+1,15+1,17+1,18+1;