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

Systemtic Name: ethyl 2-[[2-(1-azanylpentyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-aminopentyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminopentyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminopentyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminopentyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCCCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

InChI

InChI=1S/C21H29N3O3S2/c1-3-5-11-16(22)20-24-17(14-29-20)19(25)23-18(21(26)27-4-2)13-28-12-15-9-7-6-8-10-15/h6-10,14,16,18H,3-5,11-13,22H2,1-2H3,(H,23,25)