2-[[3-(2-azanylethanoylamino)-5-(2-hexadecyloctadecanoylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(2-azanylethanoylamino)-5-(2-hexadecyloctadecanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[(2-aminoacetyl)amino]-5-(2-hexadecyloctadecanoylamino)benzoyl]amino]acetic acid CAS Name: 2-[[[3-[(2-amino-1-oxoethyl)amino]-5-[(2-hexadecyl-1-oxooctadecyl)amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[(2-aminoacetyl)amino]-5-(2-hexadecyloctadecanoylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[3-(2-cetyloctadecanoylamino)-5-(glycylamino)benzoyl]amino]acetic acid Formula: C45H80N4O5 MolecularWeight: 757.1405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)NC1=CC(=CC(=C1)NC(=O)CN)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)NC1=CC(=CC(=C1)NC(=O)CN)C(=O)NCC(=O)O

InChI

InChI=1S/C45H80N4O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45(54)49-41-34-39(44(53)47-37-43(51)52)33-40(35-41)48-42(50)36-46/h33-35,38H,3-32,36-37,46H2,1-2H3,(H,47,53)(H,48,50)(H,49,54)(H,51,52)