3-dodecylsulfanyl-2-[(3-methylphenyl)carbamoylamino]propanoic acid

Systemtic Name: 3-dodecylsulfanyl-2-[(3-methylphenyl)carbamoylamino]propanoic acid Openeye Name: 3-dodecylsulfanyl-2-(m-tolylcarbamoylamino)propanoic acid CAS Name: 3-(dodecylthio)-2-[[(3-methylanilino)-oxomethyl]amino]propanoic acid IUPAC Name: 3-dodecylsulfanyl-2-[(3-methylphenyl)carbamoylamino]propanoic acid Traditional Name: 3-(laurylthio)-2-(m-tolylcarbamoylamino)propionic acid Formula: C23H38N2O3S MolecularWeight: 422.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C23H38N2O3S/c1-3-4-5-6-7-8-9-10-11-12-16-29-18-21(22(26)27)25-23(28)24-20-15-13-14-19(2)17-20/h13-15,17,21H,3-12,16,18H2,1-2H3,(H,26,27)(H2,24,25,28)