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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-2-(phenethylcarbamoylamino)butanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-methyl-2-(phenethylcarbamoylamino)butanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-[[oxo-(phenethylamino)methyl]amino]butanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(phenethylcarbamoylamino)butanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-3-methyl-2-(phenethylcarbamoylamino)butyramide Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H30N4O3/c1-16(2)20(27-23(30)25-14-13-17-9-5-3-6-10-17)22(29)26-19(21(24)28)15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H2,24,28)(H,26,29)(H2,25,27,30)/t19-,20-/m0/s1