3-[4-[3-(2-acetamidoethylcarbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-[3-(2-acetamidoethylcarbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[4-[3-(2-acetamidoethylcarbamoylamino)phenyl]phenyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[4-[3-[[(2-acetamidoethylamino)-oxomethyl]amino]phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-[3-(2-acetamidoethylcarbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-[3-(2-acetamidoethylcarbamoylamino)phenyl]phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O6/c1-19(33)29-14-15-30-27(36)31-24-9-5-8-23(17-24)22-12-10-20(11-13-22)16-25(26(34)35)32-28(37)38-18-21-6-3-2-4-7-21/h2-13,17,25H,14-16,18H2,1H3,(H,29,33)(H,32,37)(H,34,35)(H2,30,31,36)