N-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(quinolin-8-ylcarbamoyl)-5-(6-sulfanylhexanoylamino)pentanamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(quinolin-8-ylcarbamoyl)-5-(6-sulfanylhexanoylamino)pentanamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(8-quinolylcarbamoyl)-5-(6-sulfanylhexanoylamino)pentanamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-5-[(6-mercapto-1-oxohexyl)amino]-3-methyl-N-[oxo-(8-quinolinylamino)methyl]pentanamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-N-(quinolin-8-ylcarbamoyl)-5-(6-sulfanylhexanoylamino)pentanamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-5-(6-mercaptohexanoylamino)-3-methyl-N-(8-quinolylcarbamoyl)valeramide Formula: C30H37ClN4O3S MolecularWeight: 569.15778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CCCCCS)CC(=O)N(CCC1=CC=C(C=C1)Cl)C(=O)NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(CCNC(=O)CCCCCS)CC(=O)N(CCC1=CC=C(C=C1)Cl)C(=O)NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C30H37ClN4O3S/c1-22(15-18-32-27(36)10-3-2-4-20-39)21-28(37)35(19-16-23-11-13-25(31)14-12-23)30(38)34-26-9-5-7-24-8-6-17-33-29(24)26/h5-9,11-14,17,22,39H,2-4,10,15-16,18-21H2,1H3,(H,32,36)(H,34,38)