9-azanyl-10-methyl-6-(phenylmethyl)-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione

Systemtic Name: 9-azanyl-10-methyl-6-(phenylmethyl)-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione Openeye Name: 9-amino-6-benzyl-10-methyl-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione CAS Name: 9-amino-3-(2-mercaptoethyl)-10-methyl-6-(phenylmethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione IUPAC Name: 9-amino-6-benzyl-10-methyl-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione Traditional Name: 9-amino-6-benzyl-3-(2-mercaptoethyl)-10-methyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCOC(=O)C(NC(=O)C(NC(=O)C1N)CC2=CC=CC=C2)CCS

Isomeric SMILES

CC1CCOC(=O)C(NC(=O)C(NC(=O)C1N)CC2=CC=CC=C2)CCS

InChI

InChI=1S/C19H27N3O4S/c1-12-7-9-26-19(25)14(8-10-27)21-17(23)15(22-18(24)16(12)20)11-13-5-3-2-4-6-13/h2-6,12,14-16,27H,7-11,20H2,1H3,(H,21,23)(H,22,24)