methyl 2-[(2S)-1-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]carbonylamino]propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]carbonylamino]propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-4-(2-tert-butoxy-2-oxo-ethyl)-1-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-thioxo-2H-1,2,4-thiadiazol-3-yl)benzoyl]amino]propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(2S)-3-(4-methoxyphenyl)-1-oxo-2-[[oxo-[4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]methyl]amino]propyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-sulfanylidene-2H-1,2,4-thiadiazol-3-yl)benzoyl]amino]propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-4-(2-tert-butoxy-2-keto-ethyl)-3-keto-1-[(2S)-3-(4-methoxyphenyl)-2-[[4-(5-thioxo-2H-1,2,4-thiadiazol-3-yl)benzoyl]amino]propanoyl]piperazin-2-yl]acetic acid methyl ester Formula: C32H37N5O8S2 MolecularWeight: 683.79488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(C(C1=O)CC(=O)OC)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)C4=NC(=S)SN4

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN([C@H](C1=O)CC(=O)OC)C(=O)[C@H](CC2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)C4=NC(=S)SN4

InChI

InChI=1S/C32H37N5O8S2/c1-32(2,3)45-26(39)18-36-14-15-37(24(30(36)42)17-25(38)44-5)29(41)23(16-19-6-12-22(43-4)13-7-19)33-28(40)21-10-8-20(9-11-21)27-34-31(46)47-35-27/h6-13,23-24H,14-18H2,1-5H3,(H,33,40)(H,34,35,46)/t23-,24-/m0/s1