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

Systemtic Name: ethyl 2-[[2-(1-azanylpentyl)-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-5-11-16(22)20-24-17(12-28-20)19(25)23-18(21(26)27-4-2)14-29-13-15-9-7-6-8-10-15/h6-10,12,16,18H,3-5,11,13-14,22H2,1-2H3,(H,23,25)