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

Systemtic Name: methyl 6-methyl-4-[(2-oxidanylidene-1-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoate Openeye Name: methyl 6-methyl-4-[(2-oxo-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoate CAS Name: 3-mercapto-6-methyl-4-[oxo-[(2-oxo-azacyclotridec-3-yl)amino]methyl]heptanoic acid methyl ester IUPAC Name: methyl 6-methyl-4-[(2-oxo-azacyclotridec-3-yl)carbamoyl]-3-sulfanylheptanoate Traditional Name: 4-[(2-keto-azacyclotridec-3-yl)carbamoyl]-3-mercapto-6-methyl-enanthic acid methyl ester Formula: C22H40N2O4S MolecularWeight: 428.629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N2O4S/c1-16(2)14-17(19(29)15-20(25)28-3)21(26)24-18-12-10-8-6-4-5-7-9-11-13-23-22(18)27/h16-19,29H,4-15H2,1-3H3,(H,23,27)(H,24,26)