(2S)-6-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(phenethylcarbamoylamino)hexanamide

Systemtic Name: (2S)-6-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(phenethylcarbamoylamino)hexanamide Openeye Name: (2S)-6-amino-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-(phenethylcarbamoylamino)hexanamide CAS Name: (2S)-6-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[oxo-(phenethylamino)methyl]amino]hexanamide IUPAC Name: (2S)-6-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(phenethylcarbamoylamino)hexanamide Traditional Name: (2S)-6-amino-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(phenethylcarbamoylamino)hexanamide Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C24H33N5O3/c25-15-8-7-13-20(29-24(32)27-16-14-18-9-3-1-4-10-18)23(31)28-21(22(26)30)17-19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17,25H2,(H2,26,30)(H,28,31)(H2,27,29,32)/t20-,21-/m0/s1