N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-6-benzamido-3-cyclopentyl-benzimidazole-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-6-benzamido-3-cyclopentyl-benzimidazole-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-6-benzamido-3-cyclopentyl-benzimidazole-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-benzamido-3-cyclopentyl-4-benzimidazolecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-benzamido-3-cyclopentylbenzimidazole-4-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-6-benzamido-3-cyclopentyl-benzimidazole-4-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C29H29N5O3/c30-27(35)25(15-19-9-3-1-4-10-19)33-29(37)23-16-21(32-28(36)20-11-5-2-6-12-20)17-24-26(23)34(18-31-24)22-13-7-8-14-22/h1-6,9-12,16-18,22,25H,7-8,13-15H2,(H2,30,35)(H,32,36)(H,33,37)/t25-/m0/s1