2-[[[2-methyl-2-(phenylmethylsulfanyl)propyl]-phenethyl-carbamoyl]amino]propanoate

Systemtic Name: 2-[[[2-methyl-2-(phenylmethylsulfanyl)propyl]-phenethyl-carbamoyl]amino]propanoate Openeye Name: 2-[[(2-benzylsulfanyl-2-methyl-propyl)-phenethyl-carbamoyl]amino]propanoate CAS Name: 2-[[[[2-methyl-2-(phenylmethylthio)propyl]-phenethylamino]-oxomethyl]amino]propanoate IUPAC Name: 2-[[(2-benzylsulfanyl-2-methylpropyl)-phenethylcarbamoyl]amino]propanoate Traditional Name: 2-[[[2-(benzylthio)-2-methyl-propyl]-phenethyl-carbamoyl]amino]propionate Formula: C23H29N2O3S- MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCC1=CC=CC=C1)CC(C)(C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCC1=CC=CC=C1)CC(C)(C)SCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O3S/c1-18(21(26)27)24-22(28)25(15-14-19-10-6-4-7-11-19)17-23(2,3)29-16-20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3,(H,24,28)(H,26,27)/p-1