2-[[4-[[3,3-dibutyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxyamino]-2-(4-hydroxyphenyl)-4-oxidanylidene-butanoyl]amino]pentanoic acid

Systemtic Name: 2-[[4-[[3,3-dibutyl-7-methylsulfanyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxyamino]-2-(4-hydroxyphenyl)-4-oxidanylidene-butanoyl]amino]pentanoic acid Openeye Name: 2-[[4-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl)oxyamino]-2-(4-hydroxyphenyl)-4-oxo-butanoyl]amino]pentanoic acid CAS Name: 2-[[4-[[3,3-dibutyl-7-(methylthio)-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxyamino]-2-(4-hydroxyphenyl)-1,4-dioxobutyl]amino]pentanoic acid IUPAC Name: 2-[[4-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl)oxyamino]-2-(4-hydroxyphenyl)-4-oxobutanoyl]amino]pentanoic acid Traditional Name: 2-[[4-[[3,3-dibutyl-1,1-diketo-7-(methylthio)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-8-yl]oxyamino]-2-(4-hydroxyphenyl)-4-keto-butanoyl]amino]valeric acid Formula: C39H51N3O8S2 MolecularWeight: 753.96754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H51N3O8S2/c1-5-8-20-39(21-9-6-2)25-42(28-14-11-10-12-15-28)32-23-34(51-4)33(24-35(32)52(48,49)26-39)50-41-36(44)22-30(27-16-18-29(43)19-17-27)37(45)40-31(13-7-3)38(46)47/h10-12,14-19,23-24,30-31,43H,5-9,13,20-22,25-26H2,1-4H3,(H,40,45)(H,41,44)(H,46,47)