4-methylsulfanyl-2-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]butanoic acid Openeye Name: 2-[(1-benzyl-4-piperidyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]amino]butanoic acid IUPAC Name: 2-[(1-benzylpiperidin-4-yl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-benzyl-4-piperidyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3S/c1-25-12-9-16(17(22)23)20-18(24)19-15-7-10-21(11-8-15)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,22,23)(H2,19,20,24)