[5-acetamido-2-[4-acetamido-2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]phenyl]carbonyl-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-bis(sulfanyl)azanium

Systemtic Name: [5-acetamido-2-[4-acetamido-2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyl]phenyl]phenyl]carbonyl-(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-bis(sulfanyl)azanium Openeye Name: [5-acetamido-2-[4-acetamido-2-[(1-carboxy-3-methyl-butyl)carbamoyl]phenyl]benzoyl]-(1-carboxy-3-methyl-butyl)-bis(sulfanyl)ammonium CAS Name: [[5-acetamido-2-[4-acetamido-2-[[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]phenyl]phenyl]-oxomethyl]-(1-hydroxy-4-methyl-1-oxopentan-2-yl)-dimercaptoammonium IUPAC Name: [5-acetamido-2-[4-acetamido-2-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)carbamoyl]phenyl]benzoyl]-(1-hydroxy-4-methyl-1-oxopentan-2-yl)-bis(sulfanyl)azanium Traditional Name: [5-acetamido-2-[4-acetamido-2-[(1-carboxy-3-methyl-butyl)carbamoyl]phenyl]benzoyl]-(1-carboxy-3-methyl-butyl)-dimercapto-ammonium Formula: C30H39N4O8S2+ MolecularWeight: 647.78266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=CC(=C1)NC(=O)C)C2=C(C=C(C=C2)NC(=O)C)C(=O)[N+](C(CC(C)C)C(=O)O)(S)S

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=CC(=C1)NC(=O)C)C2=C(C=C(C=C2)NC(=O)C)C(=O)[N+](C(CC(C)C)C(=O)O)(S)S

InChI

InChI=1S/C30H38N4O8S2/c1-15(2)11-25(29(39)40)33-27(37)23-13-19(31-17(5)35)7-9-21(23)22-10-8-20(32-18(6)36)14-24(22)28(38)34(43,44)26(30(41)42)12-16(3)4/h7-10,13-16,25-26,43-44H,11-12H2,1-6H3,(H4-,31,32,33,35,36,37,38,39,40,41,42)/p+1