2-[[[3-methyl-2-(phenylmethylsulfanyl)butyl]-phenethyl-carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[[3-methyl-2-(phenylmethylsulfanyl)butyl]-phenethyl-carbamoyl]amino]propanoic acid Openeye Name: 2-[[(2-benzylsulfanyl-3-methyl-butyl)-phenethyl-carbamoyl]amino]propanoic acid CAS Name: 2-[[[[3-methyl-2-(phenylmethylthio)butyl]-phenethylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[(2-benzylsulfanyl-3-methylbutyl)-phenethylcarbamoyl]amino]propanoic acid Traditional Name: 2-[[[2-(benzylthio)-3-methyl-butyl]-phenethyl-carbamoyl]amino]propionic acid Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN(CCC1=CC=CC=C1)C(=O)NC(C)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(CN(CCC1=CC=CC=C1)C(=O)NC(C)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C24H32N2O3S/c1-18(2)22(30-17-21-12-8-5-9-13-21)16-26(24(29)25-19(3)23(27)28)15-14-20-10-6-4-7-11-20/h4-13,18-19,22H,14-17H2,1-3H3,(H,25,29)(H,27,28)