2-[[2-[2-[[3,3-dibutyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]ethanoylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]butanoic acid

Systemtic Name: 2-[[2-[2-[[3,3-dibutyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]ethanoylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]butanoic acid Openeye Name: 2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoic acid CAS Name: 2-[[2-[[2-[[3,3-dibutyl-7-(methylthio)-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]-1-oxoethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-[[2-[[3,3-dibutyl-1,1-diketo-7-(methylthio)-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butyric acid Formula: C37H48N4O8S2 MolecularWeight: 740.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)NC(C3=CC=C(C=C3)O)C(=O)NC(CC)C(=O)O)SC)C4=CC=CC=C4)CCCC

Isomeric SMILES

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)NC(C3=CC=C(C=C3)O)C(=O)NC(CC)C(=O)O)SC)C4=CC=CC=C4)CCCC

InChI

InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)