2-[[2,6-bis(chloranyl)-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[[3,5-bis(oxidanyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[2,6-bis(chloranyl)-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[[3,5-bis(oxidanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[2,6-dichloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(3,5-dihydroxybenzoyl)amino]propanoic acid CAS Name: 2-[[[2,6-dichloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[(3,5-dihydroxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2,6-dichloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(3,5-dihydroxybenzoyl)amino]propanoic acid Traditional Name: 2-[[2,6-dichloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-[(3,5-dihydroxybenzoyl)amino]propionic acid Formula: C25H21Cl2N3O8 MolecularWeight: 562.35554

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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=CC(=CC(=C3)O)O)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=CC(=CC(=C3)O)O)C(=O)O)Cl

InChI

InChI=1S/C25H21Cl2N3O8/c26-18-7-14(23(35)28-10-12-2-1-3-15(31)4-12)8-19(27)21(18)24(36)30-20(25(37)38)11-29-22(34)13-5-16(32)9-17(33)6-13/h1-9,20,31-33H,10-11H2,(H,28,35)(H,29,34)(H,30,36)(H,37,38)