methyl (2S)-2-[[(2R)-2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2R)-2-amino-3-tritylsulfanyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-amino-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-amino-3-(tritylthio)propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C28H32N2O3S/c1-20(2)25(27(32)33-3)30-26(31)24(29)19-34-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-25H,19,29H2,1-3H3,(H,30,31)/t24-,25-/m0/s1