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

Systemtic Name: 3-azanyl-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-amino-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-amino-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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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(CN)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5/c19-14-7-11(16(24)21-9-10-2-1-3-12(23)6-10)4-5-13(14)17(25)22-15(8-20)18(26)27/h1-7,15,23H,8-9,20H2,(H,21,24)(H,22,25)(H,26,27)