1-(2-methyl-3-sulfanyl-propanoyl)-N-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-methyl-3-sulfanyl-propanoyl)-N-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-methyl-3-sulfanyl-propanoyl)-N-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-N-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-methyl-3-sulfanylpropanoyl)-N-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]pyrrolidine-2-carboxamide Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-N-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]pyrrolidine-2-carboxamide Formula: C21H42N6O2S MolecularWeight: 442.66218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCCC1C(=O)NCCN2CCCNCCNCCCNCC2

Isomeric SMILES

CC(CS)C(=O)N1CCCC1C(=O)NCCN2CCCNCCNCCCNCC2

InChI

InChI=1S/C21H42N6O2S/c1-18(17-30)21(29)27-14-2-5-19(27)20(28)25-12-16-26-13-4-8-23-10-9-22-6-3-7-24-11-15-26/h18-19,22-24,30H,2-17H2,1H3,(H,25,28)