methyl (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-trimethylsilylethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-trimethylsilylethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[methyl-[(2S)-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[[oxo(2-trimethylsilylethoxy)methyl]amino]propyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-methylamino]-3-methyl-1-oxobutyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-methylamino]-1-oxopropyl]-methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[methyl-[(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-trimethylsilylethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]-methylamino]-3-methylbutanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-3-[[(2S)-2-[[(2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoyl]amino]-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butyric acid methyl ester Formula: C55H100N12O17S2Si MolecularWeight: 1293.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C(=O)NC(C)C(=O)N(C)C(CSCNC(=O)C)C(=O)N(C)C(C(C)C)C(=O)OC)NC(=O)OC(C)(C)C)N(C)C(=O)C(CSCNC(=O)C)N(C)C(=O)C(C)NC(=O)C(CNC(=O)OCC[Si](C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N(C)[C@@H](CSCNC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CSCNC(=O)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CNC(=O)OCC[Si](C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C55H100N12O17S2Si/c1-31(2)41(66(17)48(75)39(27-85-29-58-35(7)68)64(15)46(73)34(6)61-44(71)38(63-53(80)84-55(12,13)14)26-57-51(78)82-23-24-87(20,21)22)45(72)56-25-37(62-52(79)83-54(9,10)11)43(70)60-33(5)47(74)65(16)40(28-86-30-59-36(8)69)49(76)67(18)42(32(3)4)50(77)81-19/h31-34,37-42H,23-30H2,1-22H3,(H,56,72)(H,57,78)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,79)(H,63,80)/t33-,34-,37+,38+,39-,40-,41-,42-/m0/s1