N-[1-[[5-(1-azanylethylideneamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-2-(phenethylsulfonylamino)propanamide

Systemtic Name: N-[1-[[5-(1-azanylethylideneamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-2-(phenethylsulfonylamino)propanamide Openeye Name: N-[2-[[4-(1-aminoethylideneamino)-1-formyl-butyl]amino]-1-methyl-2-oxo-ethyl]-3-hydroxy-2-(phenethylsulfonylamino)propanamide CAS Name: N-[1-[[5-(1-aminoethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxy-2-(phenethylsulfonylamino)propanamide IUPAC Name: N-[1-[[5-(1-aminoethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-3-hydroxy-2-(phenethylsulfonylamino)propanamide Traditional Name: N-[2-[[4-(1-aminoethylideneamino)-1-formyl-butyl]amino]-2-keto-1-methyl-ethyl]-3-hydroxy-2-(phenethylsulfonylamino)propionamide Formula: C21H33N5O6S MolecularWeight: 483.58162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(C)N)C=O)NC(=O)C(CO)NS(=O)(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(CCCN=C(C)N)C=O)NC(=O)C(CO)NS(=O)(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C21H33N5O6S/c1-15(20(29)25-18(13-27)9-6-11-23-16(2)22)24-21(30)19(14-28)26-33(31,32)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,15,18-19,26,28H,6,9-12,14H2,1-2H3,(H2,22,23)(H,24,30)(H,25,29)