N-[5-acetamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-2-(methylsulfonylamino)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[5-acetamido-7-methylsulfanyl-3,4-bis(oxidanyl)-1-phenyl-heptan-2-yl]-2-(methylsulfonylamino)-1,3-thiazole-4-carboxamide Openeye Name: N-(4-acetamido-1-benzyl-2,3-dihydroxy-6-methylsulfanyl-hexyl)-2-(methanesulfonamido)thiazole-4-carboxamide CAS Name: N-[5-acetamido-3,4-dihydroxy-7-(methylthio)-1-phenylheptan-2-yl]-2-(methanesulfonamido)-4-thiazolecarboxamide IUPAC Name: N-(5-acetamido-3,4-dihydroxy-7-methylsulfanyl-1-phenylheptan-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide Traditional Name: N-[4-acetamido-1-benzyl-2,3-dihydroxy-6-(methylthio)hexyl]-2-(methanesulfonamido)thiazole-4-carboxamide Formula: C21H30N4O6S3 MolecularWeight: 530.6811

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(C(C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

Isomeric SMILES

CC(=O)NC(CCSC)C(C(C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

InChI

InChI=1S/C21H30N4O6S3/c1-13(26)22-15(9-10-32-2)18(27)19(28)16(11-14-7-5-4-6-8-14)23-20(29)17-12-33-21(24-17)25-34(3,30)31/h4-8,12,15-16,18-19,27-28H,9-11H2,1-3H3,(H,22,26)(H,23,29)(H,24,25)