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

Systemtic Name: 3-[2-[[2-(butylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-[[2-(butylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-[[[2-[[butylamino(oxo)methyl]amino]-4-thiazolyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-[[2-(butylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-[[2-(butylcarbamoylamino)thiazole-4-carbonyl]amino]acetyl]amino]-3-phenyl-propionic acid Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5S/c1-2-3-9-21-19(30)25-20-24-15(12-31-20)18(29)22-11-16(26)23-14(10-17(27)28)13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3,(H,22,29)(H,23,26)(H,27,28)(H2,21,24,25,30)