(2S)-N-[(2S)-1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)hexanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)hexanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-4-methyl-2-(3-phenylpropanoylamino)hexanamide CAS Name: (2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]hexanamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)hexanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-(hydrocinnamoylamino)-4-methyl-hexanamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)N)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H31N5O3/c1-3-15(2)11-19(26-20(28)10-9-16-7-5-4-6-8-16)22(30)27-18(21(23)29)12-17-13-24-14-25-17/h4-8,13-15,18-19H,3,9-12H2,1-2H3,(H2,23,29)(H,24,25)(H,26,28)(H,27,30)/t15?,18-,19-/m0/s1