2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(1-phenylethylcarbamoylamino)propanoic acid

Systemtic Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-(1-phenylethylcarbamoylamino)propanoic acid Openeye Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(1-phenylethylcarbamoylamino)propanoic acid CAS Name: 2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo-(1-phenylethylamino)methyl]amino]propanoic acid IUPAC Name: 2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(1-phenylethylcarbamoylamino)propanoic acid Traditional Name: 2-[[4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-3-(1-phenylethylcarbamoylamino)propionic acid Formula: C27H28N4O6 MolecularWeight: 504.53442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O6/c1-17(19-7-3-2-4-8-19)30-27(37)29-16-23(26(35)36)31-25(34)21-12-10-20(11-13-21)24(33)28-15-18-6-5-9-22(32)14-18/h2-14,17,23,32H,15-16H2,1H3,(H,28,33)(H,31,34)(H,35,36)(H2,29,30,37)