(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-chloranylethanoylamino)pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-chloranylethanoylamino)pentanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[(2-chloroacetyl)amino]pentanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(2-chloro-1-oxoethyl)amino]pentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(2-chloroacetyl)amino]pentanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[(2-chloroacetyl)amino]valeramide Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O3/c1-2-6-12(19-14(21)10-17)16(23)20-13(15(18)22)9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H2,18,22)(H,19,21)(H,20,23)/t12-,13-/m0/s1