methyl 2-[2-azanylpropanoyl-(triphenylmethyl)sulfanyl-amino]-3-methyl-butanoate hydrochloride

Systemtic Name: methyl 2-[2-azanylpropanoyl-(triphenylmethyl)sulfanyl-amino]-3-methyl-butanoate hydrochloride Openeye Name: methyl 2-[2-aminopropanoyl(tritylsulfanyl)amino]-3-methyl-butanoate hydrochloride CAS Name: 2-[(2-amino-1-oxopropyl)-[(triphenylmethyl)thio]amino]-3-methylbutanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-aminopropanoyl(tritylsulfanyl)amino]-3-methylbutanoate hydrochloride Traditional Name: 2-[alanyl-(tritylthio)amino]-3-methyl-butyric acid methyl ester hydrochloride Formula: C28H33ClN2O3S MolecularWeight: 513.09122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3S.ClH/c1-20(2)25(27(32)33-4)30(26(31)21(3)29)34-28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24;/h5-21,25H,29H2,1-4H3;1H