2,2,2-tris(chloranyl)ethyl (2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]propanoyl]-methyl-amino]-3-methylsulfanyl-propanoyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]propanoyl]-methyl-amino]-3-methylsulfanyl-propanoyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2,2,2-trichloroethyl (2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[2-(tert-butoxycarbonylamino)acetyl]-methyl-amino]propanoyl]-methyl-amino]-3-methylsulfanyl-propanoyl]sulfanyl-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[methyl-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-methylamino]-3-(methylthio)-1-oxopropyl]thio]-2-(phenylmethoxycarbonylamino)propanoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]-methylamino]-3-methylsulfanylpropanoyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[2-(tert-butoxycarbonylamino)acetyl]-methyl-amino]propanoyl]-methyl-amino]-3-(methylthio)propanoyl]thio]-2-(benzyloxycarbonylamino)propionic acid 2,2,2-trichloroethyl ester Formula: C32H46Cl3N5O10S3 MolecularWeight: 863.28914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)N(C)C(CSC)C(=O)SCC(C(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC1=CC=CC=C1)N(C)C(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)N(C)[C@@H](CSC)C(=O)SC[C@H](C(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC1=CC=CC=C1)N(C)C(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C32H46Cl3N5O10S3/c1-20(41)37-19-52-17-23(39(5)25(42)13-36-29(46)50-31(2,3)4)26(43)40(6)24(16-51-7)28(45)53-15-22(27(44)49-18-32(33,34)35)38-30(47)48-14-21-11-9-8-10-12-21/h8-12,22-24H,13-19H2,1-7H3,(H,36,46)(H,37,41)(H,38,47)/t22-,23+,24+/m1/s1