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

Systemtic Name: 3-[2-[[2-[2-[[3,3-dibutyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxy]ethanoylamino]-2-phenyl-ethanoyl]amino]butanoylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenyl-acetyl]amino]butanoylamino]-2-hydroxy-propanoic acid CAS Name: 3-[[2-[[2-[[2-[[3,3-dibutyl-7-(methylthio)-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxy]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]-1-oxobutyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[2-[[2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]butanoylamino]-2-hydroxypropanoic acid Traditional Name: 3-[2-[[2-[[2-[[3,3-dibutyl-1,1-diketo-7-(methylthio)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxy]acetyl]amino]-2-phenyl-acetyl]amino]butanoylamino]-2-hydroxy-propionic acid Formula: C41H54N4O9S2 MolecularWeight: 811.01886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)NC(C3=CC=CC=C3)C(=O)NC(CC)C(=O)NCC(C(=O)O)O)SC)C4=CC=CC=C4)CCCC

Isomeric SMILES

CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)NC(C3=CC=CC=C3)C(=O)NC(CC)C(=O)NCC(C(=O)O)O)SC)C4=CC=CC=C4)CCCC

InChI

InChI=1S/C41H54N4O9S2/c1-5-8-20-41(21-9-6-2)26-45(29-18-14-11-15-19-29)31-22-34(55-4)33(23-35(31)56(52,53)27-41)54-25-36(47)44-37(28-16-12-10-13-17-28)39(49)43-30(7-3)38(48)42-24-32(46)40(50)51/h10-19,22-23,30,32,37,46H,5-9,20-21,24-27H2,1-4H3,(H,42,48)(H,43,49)(H,44,47)(H,50,51)