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

Systemtic Name: methyl 2-[[2-(1-azanylpropyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-aminopropyl)oxazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminopropyl)-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminopropyl)oxazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-3-13(19)17-21-14(9-25-17)16(22)20-15(18(23)24-2)11-26-10-12-7-5-4-6-8-12/h4-9,13,15H,3,10-11,19H2,1-2H3,(H,20,22)