methyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]propanoate

Systemtic Name: methyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]propanoate Openeye Name: methyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]propanoate CAS Name: (2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[[(2R)-1-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[(2R)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoate Traditional Name: (2R)-3-(acetamidomethylthio)-2-[[(2S)-2-[[(2R)-1-[(2R)-2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]propionic acid methyl ester Formula: C48H57N5O8S2 MolecularWeight: 896.12488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSCC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCSC[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]2CCCN2C(=O)[C@H](CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C48H57N5O8S2/c1-33(54)49-32-62-30-40(45(58)60-5)51-42(55)38(29-34-19-10-6-11-20-34)50-43(56)41-27-18-28-53(41)44(57)39(52-46(59)61-47(2,3)4)31-63-48(35-21-12-7-13-22-35,36-23-14-8-15-24-36)37-25-16-9-17-26-37/h6-17,19-26,38-41H,18,27-32H2,1-5H3,(H,49,54)(H,50,56)(H,51,55)(H,52,59)/t38-,39-,40-,41+/m0/s1