N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-carbamimidoyl-benzamide dihydrochloride

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-carbamimidoyl-benzamide dihydrochloride Openeye Name: 4-carbamimidoyl-N-[(1S)-1-formyl-4-guanidino-butyl]benzamide dihydrochloride CAS Name: 4-carbamimidoyl-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide dihydrochloride IUPAC Name: 4-carbamimidoyl-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide dihydrochloride Traditional Name: 4-amidino-N-[(1S)-1-formyl-4-guanidino-butyl]benzamide dihydrochloride Formula: C14H22Cl2N6O2 MolecularWeight: 377.26948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(=O)NC(CCCN=C(N)N)C=O.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(=O)N[C@@H](CCCN=C(N)N)C=O.Cl.Cl

InChI

InChI=1S/C14H20N6O2.2ClH/c15-12(16)9-3-5-10(6-4-9)13(22)20-11(8-21)2-1-7-19-14(17)18;;/h3-6,8,11H,1-2,7H2,(H3,15,16)(H,20,22)(H4,17,18,19);2*1H/t11-;;/m0../s1