N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(1H-imidazol-5-yl)-1-phenethyl-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(1H-imidazol-5-yl)-1-phenethyl-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-(1H-imidazol-5-yl)-1-phenethyl-benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(1H-imidazol-5-yl)-1-phenethyl-5-benzimidazolecarboxamide IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(1H-imidazol-5-yl)-1-phenethylbenzimidazole-5-carboxamide Traditional Name: N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-(1H-imidazol-5-yl)-1-phenethyl-benzimidazole-5-carboxamide Formula: C25H29N9O2 MolecularWeight: 487.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)NC(CCCN=C(N)N)C(=O)N)N=C2C4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N=C2C4=CN=CN4

InChI

InChI=1S/C25H29N9O2/c26-22(35)18(7-4-11-30-25(27)28)33-24(36)17-8-9-21-19(13-17)32-23(20-14-29-15-31-20)34(21)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13-15,18H,4,7,10-12H2,(H2,26,35)(H,29,31)(H,33,36)(H4,27,28,30)/t18-/m0/s1