N1-[4-(2-methoxyethylsulfanyl)-5-(2-methylpropylamino)-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-(2-methoxyethylsulfanyl)-5-(2-methylpropylamino)-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-4-(isobutylamino)-3-(2-methoxyethylsulfanyl)-4-oxo-butyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[3-hydroxy-4-(2-methoxyethylthio)-5-(2-methylpropylamino)-5-oxo-1-phenylpentan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[3-hydroxy-4-(2-methoxyethylsulfanyl)-5-(2-methylpropylamino)-5-oxo-1-phenylpentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2-hydroxy-4-(isobutylamino)-4-keto-3-(2-methoxyethylthio)butyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C33H49N3O5S MolecularWeight: 599.82426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(C(=O)NCC(C)C)SCCOC)O)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(C(C(=O)NCC(C)C)SCCOC)O)C

InChI

InChI=1S/C33H49N3O5S/c1-7-14-36(15-8-2)33(40)27-19-24(5)18-26(21-27)31(38)35-28(20-25-12-10-9-11-13-25)29(37)30(42-17-16-41-6)32(39)34-22-23(3)4/h9-13,18-19,21,23,28-30,37H,7-8,14-17,20,22H2,1-6H3,(H,34,39)(H,35,38)