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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[di(propan-2-yl)carbamoylamino]-3-methyl-butanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-(diisopropylcarbamoylamino)-3-methyl-butanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[[di(propan-2-yl)amino]-oxomethyl]amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[di(propan-2-yl)carbamoylamino]-3-methylbutanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(diisopropylcarbamoylamino)-3-methyl-butyramide Formula: C21H34N4O3 MolecularWeight: 390.51966

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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)N(C(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3/c1-13(2)18(24-21(28)25(14(3)4)15(5)6)20(27)23-17(19(22)26)12-16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3,(H2,22,26)(H,23,27)(H,24,28)/t17-,18-/m0/s1