ethyl 2-(pentylcarbamoylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-(pentylcarbamoylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-(pentylcarbamoylamino)propanoate CAS Name: 2-[[oxo-(pentylamino)methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-(pentylcarbamoylamino)propanoate Traditional Name: 2-(amylcarbamoylamino)-3-(benzylthio)propionic acid ethyl ester Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCCNC(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C18H28N2O3S/c1-3-5-9-12-19-18(22)20-16(17(21)23-4-2)14-24-13-15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H2,19,20,22)