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

Systemtic Name: 3-benzamido-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-benzamido-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C25H22ClN3O6 MolecularWeight: 495.91168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl

InChI

InChI=1S/C25H22ClN3O6/c26-20-12-17(23(32)27-13-15-5-4-8-18(30)11-15)9-10-19(20)24(33)29-21(25(34)35)14-28-22(31)16-6-2-1-3-7-16/h1-12,21,30H,13-14H2,(H,27,32)(H,28,31)(H,29,33)(H,34,35)