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

Systemtic Name: 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(3-phenylpropanoylamino)propanoic acid Openeye Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(3-phenylpropanoylamino)propanoic acid CAS Name: 2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(3-phenylpropanoylamino)propanoic acid Traditional Name: 2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-(hydrocinnamoylamino)propionic acid Formula: C27H26ClN3O6 MolecularWeight: 523.96484

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26ClN3O6/c28-22-14-19(25(34)30-15-18-7-4-8-20(32)13-18)10-11-21(22)26(35)31-23(27(36)37)16-29-24(33)12-9-17-5-2-1-3-6-17/h1-8,10-11,13-14,23,32H,9,12,15-16H2,(H,29,33)(H,30,34)(H,31,35)(H,36,37)