N-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(3-carbamimidoylphenyl)methylsulfonylamino]-N-methyl-4-(2H-1,2,3,4-tetrazol-5-yl)butanamide

Systemtic Name: N-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(3-carbamimidoylphenyl)methylsulfonylamino]-N-methyl-4-(2H-1,2,3,4-tetrazol-5-yl)butanamide Openeye Name: 2-[(3-carbamimidoylphenyl)methylsulfonylamino]-N-[2-[(1-formyl-4-guanidino-butyl)amino]-2-oxo-ethyl]-N-methyl-4-(2H-tetrazol-5-yl)butanamide CAS Name: 2-[(3-carbamimidoylphenyl)methylsulfonylamino]-N-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-methyl-4-(2H-tetrazol-5-yl)butanamide IUPAC Name: 2-[(3-carbamimidoylphenyl)methylsulfonylamino]-N-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-methyl-4-(2H-tetrazol-5-yl)butanamide Traditional Name: 2-[(3-amidinobenzyl)sulfonylamino]-N-[2-[(1-formyl-4-guanidino-butyl)amino]-2-keto-ethyl]-N-methyl-4-(2H-tetrazol-5-yl)butyramide Formula: C22H34N12O5S MolecularWeight: 578.64776

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCCN=C(N)N)C=O)C(=O)C(CCC1=NNN=N1)NS(=O)(=O)CC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CN(CC(=O)NC(CCCN=C(N)N)C=O)C(=O)C(CCC1=NNN=N1)NS(=O)(=O)CC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C22H34N12O5S/c1-34(11-19(36)28-16(12-35)6-3-9-27-22(25)26)21(37)17(7-8-18-29-32-33-30-18)31-40(38,39)13-14-4-2-5-15(10-14)20(23)24/h2,4-5,10,12,16-17,31H,3,6-9,11,13H2,1H3,(H3,23,24)(H,28,36)(H4,25,26,27)(H,29,30,32,33)