N1-[(2S,3S)-1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-5-(4-thiophen-2-ylbutanoylamino)pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3S)-1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-5-(4-thiophen-2-ylbutanoylamino)pentan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-4-[4-(2-thienyl)butanoylamino]butyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-5-[(1-oxo-4-thiophen-2-ylbutyl)amino]pentan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-5-(4-thiophen-2-ylbutanoylamino)pentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-4-[4-(2-thienyl)butanoylamino]butyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C34H43F2N3O4S MolecularWeight: 627.784726

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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)F)F)C(CCNC(=O)CCCC3=CC=CS3)O)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@H](CCNC(=O)CCCC3=CC=CS3)O)C

InChI

InChI=1S/C34H43F2N3O4S/c1-4-13-39(14-5-2)34(43)26-17-23(3)16-25(21-26)33(42)38-30(20-24-18-27(35)22-28(36)19-24)31(40)11-12-37-32(41)10-6-8-29-9-7-15-44-29/h7,9,15-19,21-22,30-31,40H,4-6,8,10-14,20H2,1-3H3,(H,37,41)(H,38,42)/t30-,31-/m0/s1