2,2,2-tris(chloranyl)ethyl (2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[2-[[(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)propanoyl]amino]ethanoyl-methyl-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-[2-[[(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)propanoyl]amino]ethanoyl-methyl-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-[[(2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[2-(tert-butoxycarbonylamino)acetyl]-methyl-amino]propanoyl]-methyl-amino]-3-methylsulfanyl-propanoyl]sulfanyl-2-(benzyloxycarbonylamino)propanoyl]amino]acetyl]-methyl-amino]propanoyl]-methyl-amino]-3-methylsulfanyl-propanoyl]sulfanyl-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[2-[[(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]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxoethyl]-methylamino]-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-[[2-[[(2S)-3-[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]-methylamino]-3-methylsulfanylpropanoyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]-methylamino]propanoyl]-methylamino]-3-methylsulfanylpropanoyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[2-[[(2S)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[2-(tert-butoxycarbonylamino)acetyl]-methyl-amino]propanoyl]-methyl-amino]-3-(methylthio)propanoyl]thio]-2-(benzyloxycarbonylamino)propanoyl]amino]acetyl]-methyl-amino]propanoyl]-methyl-amino]-3-(methylthio)propanoyl]thio]-2-(benzyloxycarbonylamino)propionic acid 2,2,2-trichloroethyl ester Formula: C57H81Cl3N10O17S6 MolecularWeight: 1477.05884

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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)C(CSC(=O)C(CSC)N(C)C(=O)C(CSCNC(=O)C)N(C)C(=O)CNC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

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)[C@@H](CSC(=O)[C@H](CSC)N(C)C(=O)[C@H](CSCNC(=O)C)N(C)C(=O)CNC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C57H81Cl3N10O17S6/c1-35(71)63-33-90-30-41(48(76)70(9)44(29-89-11)52(80)93-27-40(50(78)86-32-57(58,59)60)66-55(83)85-25-38-20-16-13-17-21-38)67(6)45(73)22-61-47(75)39(65-54(82)84-24-37-18-14-12-15-19-37)26-92-51(79)43(28-88-10)69(8)49(77)42(31-91-34-64-36(2)72)68(7)46(74)23-62-53(81)87-56(3,4)5/h12-21,39-44H,22-34H2,1-11H3,(H,61,75)(H,62,81)(H,63,71)(H,64,72)(H,65,82)(H,66,83)/t39-,40-,41+,42+,43+,44+/m1/s1