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

Systemtic Name: 3-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]amino]propionic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)NCCC(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-19(2,3)13-6-4-12(5-7-13)17(26)22-18-21-14(11-27-18)10-15(23)20-9-8-16(24)25/h4-7,11H,8-10H2,1-3H3,(H,20,23)(H,24,25)(H,21,22,26)