2-[[3,5-bis(decylcarbamoylamino)phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(decylcarbamoylamino)phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[3,5-bis(decylcarbamoylamino)benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[[3,5-bis[[(decylamino)-oxomethyl]amino]phenyl]-oxomethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[3,5-bis(decylcarbamoylamino)benzoyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[3,5-bis(decylcarbamoylamino)benzoyl]-(carboxymethyl)amino]acetic acid Formula: C33H55N5O7 MolecularWeight: 633.8191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)NC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)NC(=O)NCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCNC(=O)NC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)NC(=O)NCCCCCCCCCC

InChI

InChI=1S/C33H55N5O7/c1-3-5-7-9-11-13-15-17-19-34-32(44)36-27-21-26(31(43)38(24-29(39)40)25-30(41)42)22-28(23-27)37-33(45)35-20-18-16-14-12-10-8-6-4-2/h21-23H,3-20,24-25H2,1-2H3,(H,39,40)(H,41,42)(H2,34,36,44)(H2,35,37,45)