ethyl 3-[2-[[2-(butylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[2-[[2-(butylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[2-[[2-(butylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[[2-[[butylamino(oxo)methyl]amino]-4-thiazolyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[2-(butylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[[2-(butylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC(=CS1)C(=O)NCC(=O)NC(CC(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)NC1=NC(=CS1)C(=O)NCC(=O)NC(CC(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C22H29N5O5S/c1-3-5-11-23-21(31)27-22-26-17(14-33-22)20(30)24-13-18(28)25-16(12-19(29)32-4-2)15-9-7-6-8-10-15/h6-10,14,16H,3-5,11-13H2,1-2H3,(H,24,30)(H,25,28)(H2,23,26,27,31)