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

Systemtic Name: 3-(cyclohexylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-(cyclohexylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(cyclohexylcarbamoylamino)-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-(cyclohexylcarbamoylamino)-2-[[4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)O

Isomeric SMILES

C1CCC(CC1)NC(=O)NCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)O

InChI

InChI=1S/C25H30N4O6/c30-20-8-4-5-16(13-20)14-26-22(31)17-9-11-18(12-10-17)23(32)29-21(24(33)34)15-27-25(35)28-19-6-2-1-3-7-19/h4-5,8-13,19,21,30H,1-3,6-7,14-15H2,(H,26,31)(H,29,32)(H,33,34)(H2,27,28,35)