N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[(4-imidazol-1-ylphenyl)methylamino]pentanamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[(4-imidazol-1-ylphenyl)methylamino]pentanamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-5-[(4-imidazol-1-ylphenyl)methylamino]pentanamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[[4-(1-imidazolyl)phenyl]methylamino]pentanamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-[(4-imidazol-1-ylphenyl)methylamino]pentanamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-5-[(4-imidazol-1-ylbenzyl)amino]valeramide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CCCCNCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)CCCCNCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C24H29N5O2/c25-24(31)22(16-19-6-2-1-3-7-19)28-23(30)8-4-5-13-26-17-20-9-11-21(12-10-20)29-15-14-27-18-29/h1-3,6-7,9-12,14-15,18,22,26H,4-5,8,13,16-17H2,(H2,25,31)(H,28,30)/t22-/m0/s1