(2S)-N-(1H-benzimidazol-2-yl)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-yl-propanamide

Systemtic Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-yl-propanamide Openeye Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-(2-naphthyl)propanamide CAS Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[[(cyclohexylamino)-cyclohexyliminomethyl]amino]-3-(2-naphthalenyl)propanamide IUPAC Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanamide Traditional Name: (2S)-N-(1H-benzimidazol-2-yl)-2-[(N,N'-dicyclohexylamidino)amino]-3-(2-naphthyl)propionamide Formula: C33H40N6O MolecularWeight: 536.7103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C33H40N6O/c40-31(39-33-36-28-17-9-10-18-29(28)37-33)30(22-23-19-20-24-11-7-8-12-25(24)21-23)38-32(34-26-13-3-1-4-14-26)35-27-15-5-2-6-16-27/h7-12,17-21,26-27,30H,1-6,13-16,22H2,(H2,34,35,38)(H2,36,37,39,40)/t30-/m0/s1