2-[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-phenyl-ethanoyl]amino]propanoylamino]propanoic acid

Systemtic Name: 2-[2-[[2-[2-[[3,3-dibutyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]ethanoylamino]-2-phenyl-ethanoyl]amino]propanoylamino]propanoic acid Openeye Name: 2-[2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-phenyl-acetyl]amino]propanoylamino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[[3,3-dibutyl-7-(methylthio)-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl]oxy]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]propanoylamino]propanoic acid Traditional Name: 2-[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-phenyl-acetyl]amino]propanoylamino]propionic acid Formula: C39H51N5O8S2 MolecularWeight: 781.98094

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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=CC=C3)C(=O)NC(C)C(=O)NC(C)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=CC=C3)C(=O)NC(C)C(=O)NC(C)C(=O)O)SC)C4=CC=CC=C4)CCCC

InChI

InChI=1S/C39H51N5O8S2/c1-6-8-20-39(21-9-7-2)25-44(29-18-14-11-15-19-29)30-22-32(53-5)31(23-33(30)54(50,51)43-39)52-24-34(45)42-35(28-16-12-10-13-17-28)37(47)40-26(3)36(46)41-27(4)38(48)49/h10-19,22-23,26-27,35,43H,6-9,20-21,24-25H2,1-5H3,(H,40,47)(H,41,46)(H,42,45)(H,48,49)