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

Systemtic Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(phenethylcarbamoylamino)propanoic acid Openeye Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(phenethylcarbamoylamino)propanoic acid CAS Name: 2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo-(phenethylamino)methyl]amino]propanoic acid IUPAC Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(phenethylcarbamoylamino)propanoic acid Traditional Name: 2-[[4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-(phenethylcarbamoylamino)propionic acid Formula: C27H28N4O6 MolecularWeight: 504.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O6/c32-22-8-4-7-19(15-22)16-29-24(33)20-9-11-21(12-10-20)25(34)31-23(26(35)36)17-30-27(37)28-14-13-18-5-2-1-3-6-18/h1-12,15,23,32H,13-14,16-17H2,(H,29,33)(H,31,34)(H,35,36)(H2,28,30,37)