2-[[2,6-bis(chloranyl)-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(thiophen-3-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[2,6-bis(chloranyl)-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(thiophen-3-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2,6-dichloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(thiophene-3-carbonylamino)propanoic acid CAS Name: 2-[[[2,6-dichloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[[2,6-dichloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(thiophene-3-carbonylamino)propanoic acid Traditional Name: 2-[[2,6-dichloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-(3-thenoylamino)propionic acid Formula: C23H19Cl2N3O6S MolecularWeight: 536.38446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C(=C2)Cl)C(=O)NC(CNC(=O)C3=CSC=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C(=C2)Cl)C(=O)NC(CNC(=O)C3=CSC=C3)C(=O)O)Cl

InChI

InChI=1S/C23H19Cl2N3O6S/c24-16-7-14(21(31)26-9-12-2-1-3-15(29)6-12)8-17(25)19(16)22(32)28-18(23(33)34)10-27-20(30)13-4-5-35-11-13/h1-8,11,18,29H,9-10H2,(H,26,31)(H,27,30)(H,28,32)(H,33,34)