2-[[2-[2-[[3-butyl-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]sulfanyl]ethanoylamino]-2-phenyl-ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[[3-butyl-3-ethyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]sulfanyl]ethanoylamino]-2-phenyl-ethanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[(3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)sulfanyl]acetyl]amino]-2-phenyl-acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)thio]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)sulfanyl]acetyl]amino]-2-phenylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(3-butyl-3-ethyl-4-hydroxy-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl)thio]acetyl]amino]-2-phenyl-acetyl]amino]acetic acid Formula: C34H40N2O7S2 MolecularWeight: 652.8206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)SCC(=O)NC(C3=CC=CC=C3)C(=O)NCC(=O)O)C(C1O)C4=CC=CC=C4)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)SCC(=O)NC(C3=CC=CC=C3)C(=O)NCC(=O)O)C(C1O)C4=CC=CC=C4)CC

InChI

InChI=1S/C34H40N2O7S2/c1-3-5-18-34(4-2)22-45(42,43)27-17-16-25(19-26(27)30(32(34)40)23-12-8-6-9-13-23)44-21-28(37)36-31(24-14-10-7-11-15-24)33(41)35-20-29(38)39/h6-17,19,30-32,40H,3-5,18,20-22H2,1-2H3,(H,35,41)(H,36,37)(H,38,39)