2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[(3-hydroxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[(3-hydroxyphenyl)carbonylamino]propanoic acid Openeye Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(3-hydroxybenzoyl)amino]propanoic acid CAS Name: 2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[(3-hydroxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(3-hydroxybenzoyl)amino]propanoic acid Traditional Name: 2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-[(3-hydroxybenzoyl)amino]propionic acid Formula: C25H22ClN3O7 MolecularWeight: 511.91108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O7/c26-20-11-16(23(33)27-12-14-3-1-5-17(30)9-14)7-8-19(20)24(34)29-21(25(35)36)13-28-22(32)15-4-2-6-18(31)10-15/h1-11,21,30-31H,12-13H2,(H,27,33)(H,28,32)(H,29,34)(H,35,36)