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

Systemtic Name: propan-2-yl (3S,4S)-6-methyl-4-[(2-oxidanylidene-1-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoate Openeye Name: isopropyl (3S,4S)-6-methyl-4-[(2-oxo-azacyclotridec-3-yl)carbamoyl]-3-sulfanyl-heptanoate CAS Name: (3S,4S)-3-mercapto-6-methyl-4-[oxo-[(2-oxo-azacyclotridec-3-yl)amino]methyl]heptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S,4S)-6-methyl-4-[(2-oxo-azacyclotridec-3-yl)carbamoyl]-3-sulfanylheptanoate Traditional Name: (3S,4S)-4-[(2-keto-azacyclotridec-3-yl)carbamoyl]-3-mercapto-6-methyl-enanthic acid isopropyl ester Formula: C24H44N2O4S MolecularWeight: 456.68216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H]([C@H](CC(=O)OC(C)C)S)C(=O)NC1CCCCCCCCCCNC1=O

InChI

InChI=1S/C24H44N2O4S/c1-17(2)15-19(21(31)16-22(27)30-18(3)4)23(28)26-20-13-11-9-7-5-6-8-10-12-14-25-24(20)29/h17-21,31H,5-16H2,1-4H3,(H,25,29)(H,26,28)/t19-,20?,21+/m1/s1