6-methyl-4-[(2-oxidanylidene-1-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoic acid

Systemtic Name: 6-methyl-4-[(2-oxidanylidene-1-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoic acid Openeye Name: 6-methyl-4-[(2-oxo-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoic acid CAS Name: 3-mercapto-6-methyl-4-[oxo-[(2-oxo-azacyclotridec-3-yl)amino]methyl]heptanoic acid IUPAC Name: 6-methyl-4-[(2-oxo-azacyclotridec-3-yl)carbamoyl]-3-sulfanylheptanoic acid Traditional Name: 4-[(2-keto-azacyclotridec-3-yl)carbamoyl]-3-mercapto-6-methyl-enanthic acid Formula: C21H38N2O4S MolecularWeight: 414.60242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)S)C(=O)NC1CCCCCCCCCCNC1=O

Isomeric SMILES

CC(C)CC(C(CC(=O)O)S)C(=O)NC1CCCCCCCCCCNC1=O

InChI

InChI=1S/C21H38N2O4S/c1-15(2)13-16(18(28)14-19(24)25)20(26)23-17-11-9-7-5-3-4-6-8-10-12-22-21(17)27/h15-18,28H,3-14H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)