N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[(3S)-3-[(3-methylphenyl)methylsulfonylamino]-2-oxidanylidene-azepan-1-yl]ethanamide

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[(3S)-3-[(3-methylphenyl)methylsulfonylamino]-2-oxidanylidene-azepan-1-yl]ethanamide Openeye Name: N-[(1S)-1-formyl-4-guanidino-butyl]-2-[(3S)-3-(m-tolylmethylsulfonylamino)-2-oxo-azepan-1-yl]acetamide CAS Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-3-[(3-methylphenyl)methylsulfonylamino]-2-oxo-1-azepanyl]acetamide IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-3-[(3-methylphenyl)methylsulfonylamino]-2-oxoazepan-1-yl]acetamide Traditional Name: N-[(1S)-1-formyl-4-guanidino-butyl]-2-[(3S)-2-keto-3-[(3-methylbenzyl)sulfonylamino]azepan-1-yl]acetamide Formula: C22H34N6O5S MolecularWeight: 494.60756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)NC2CCCCN(C2=O)CC(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N[C@H]2CCCCN(C2=O)CC(=O)N[C@@H](CCCN=C(N)N)C=O

InChI

InChI=1S/C22H34N6O5S/c1-16-6-4-7-17(12-16)15-34(32,33)27-19-9-2-3-11-28(21(19)31)13-20(30)26-18(14-29)8-5-10-25-22(23)24/h4,6-7,12,14,18-19,27H,2-3,5,8-11,13,15H2,1H3,(H,26,30)(H4,23,24,25)/t18-,19-/m0/s1