methyl 2-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-4-methyl-pentanoate hydrochloride

Systemtic Name: methyl 2-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-4-methyl-pentanoate hydrochloride Openeye Name: methyl 2-[(2-amino-3-tritylsulfanyl-propanoyl)amino]-4-methyl-pentanoate hydrochloride CAS Name: 2-[[2-amino-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-4-methylpentanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(2-amino-3-tritylsulfanylpropanoyl)amino]-4-methylpentanoate hydrochloride Traditional Name: 2-[[2-amino-3-(tritylthio)propanoyl]amino]-4-methyl-valeric acid methyl ester hydrochloride Formula: C29H35ClN2O3S MolecularWeight: 527.1178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3S.ClH/c1-21(2)19-26(28(33)34-3)31-27(32)25(30)20-35-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-18,21,25-26H,19-20,30H2,1-3H3,(H,31,32);1H