methyl 2-[[2-(1-azanylpentyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[2-(1-azanylpentyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-aminopentyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminopentyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aminopentyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminopentyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

CCCCC(C1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C20H27N3O4S/c1-3-4-10-15(21)19-23-16(11-27-19)18(24)22-17(20(25)26-2)13-28-12-14-8-6-5-7-9-14/h5-9,11,15,17H,3-4,10,12-13,21H2,1-2H3,(H,22,24)