(2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide; ethanoic acid

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide; ethanoic acid Openeye Name: acetic acid; (2S)-2-amino-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-methyl-butanamide CAS Name: acetic acid; (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide IUPAC Name: acetic acid; (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide Traditional Name: acetic acid; (2S)-2-amino-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-3-methyl-butyramide Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2.C2H4O2/c1-9(2)12(15)14(19)17-11(13(16)18)8-10-6-4-3-5-7-10;1-2(3)4/h3-7,9,11-12H,8,15H2,1-2H3,(H2,16,18)(H,17,19);1H3,(H,3,4)/t11-,12-;/m0./s1