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

Systemtic Name: 9-azanyl-4-(2-azanyl-3-sulfanyl-propyl)-10-methyl-6-(phenylmethyl)-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione Openeye Name: 9-amino-4-(2-amino-3-sulfanyl-propyl)-6-benzyl-10-methyl-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione CAS Name: 9-amino-4-(2-amino-3-mercaptopropyl)-3-(2-mercaptoethyl)-10-methyl-6-(phenylmethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione IUPAC Name: 9-amino-4-(2-amino-3-sulfanylpropyl)-6-benzyl-10-methyl-3-(2-sulfanylethyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione Traditional Name: 9-amino-4-(2-amino-3-mercapto-propyl)-6-benzyl-3-(2-mercaptoethyl)-10-methyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione Formula: C22H34N4O4S2 MolecularWeight: 482.65976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O4S2/c1-14-7-9-30-22(29)18(8-10-31)26(12-16(23)13-32)21(28)17(25-20(27)19(14)24)11-15-5-3-2-4-6-15/h2-6,14,16-19,31-32H,7-13,23-24H2,1H3,(H,25,27)