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

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[(3S)-3-[(3-methoxyphenyl)methylsulfonylamino]-2-oxidanylidene-azepan-1-yl]ethanamide Openeye Name: N-[(1S)-1-formyl-4-guanidino-butyl]-2-[(3S)-3-[(3-methoxyphenyl)methylsulfonylamino]-2-oxo-azepan-1-yl]acetamide CAS Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-3-[(3-methoxyphenyl)methylsulfonylamino]-2-oxo-1-azepanyl]acetamide IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-3-[(3-methoxyphenyl)methylsulfonylamino]-2-oxoazepan-1-yl]acetamide Traditional Name: N-[(1S)-1-formyl-4-guanidino-butyl]-2-[(3S)-2-keto-3-(m-anisylsulfonylamino)azepan-1-yl]acetamide Formula: C22H34N6O6S MolecularWeight: 510.60696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CS(=O)(=O)NC2CCCCN(C2=O)CC(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

COC1=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/C22H34N6O6S/c1-34-18-8-4-6-16(12-18)15-35(32,33)27-19-9-2-3-11-28(21(19)31)13-20(30)26-17(14-29)7-5-10-25-22(23)24/h4,6,8,12,14,17,19,27H,2-3,5,7,9-11,13,15H2,1H3,(H,26,30)(H4,23,24,25)/t17-,19-/m0/s1