2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2-methyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2-methyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2-methyl-benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]-2-methylphenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2-methylbenzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[4-[(3-hydroxybenzyl)carbamoyl]-2-methyl-benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=CC(=CC=C2)O)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=CC(=CC=C2)O)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C24H23N3O6S/c1-14-10-16(21(29)25-12-15-4-2-5-17(28)11-15)7-8-18(14)22(30)27-19(24(32)33)13-26-23(31)20-6-3-9-34-20/h2-11,19,28H,12-13H2,1H3,(H,25,29)(H,26,31)(H,27,30)(H,32,33)