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

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[(3S)-2-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]azepan-1-yl]ethanamide Openeye Name: N-[(1S)-1-formyl-4-guanidino-butyl]-2-[(3S)-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]azepan-1-yl]acetamide CAS Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-azepanyl]acetamide IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[(3S)-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]azepan-1-yl]acetamide Traditional Name: N-[(1S)-1-formyl-4-guanidino-butyl]-2-[(3S)-2-keto-3-[[3-(trifluoromethyl)benzyl]sulfonylamino]azepan-1-yl]acetamide Formula: C22H31F3N6O5S MolecularWeight: 548.57895

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F)CC(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F)CC(=O)N[C@@H](CCCN=C(N)N)C=O

InChI

InChI=1S/C22H31F3N6O5S/c23-22(24,25)16-6-3-5-15(11-16)14-37(35,36)30-18-8-1-2-10-31(20(18)34)12-19(33)29-17(13-32)7-4-9-28-21(26)27/h3,5-6,11,13,17-18,30H,1-2,4,7-10,12,14H2,(H,29,33)(H4,26,27,28)/t17-,18-/m0/s1