ditert-butyl 2-azanyl-4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2-[hexadecyl-[(E)-octadec-9-enyl]amino]pentanedioate

Systemtic Name: ditert-butyl 2-azanyl-4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2-[hexadecyl-[(E)-octadec-9-enyl]amino]pentanedioate Openeye Name: ditert-butyl 2-amino-4-[(2-amino-2-oxo-ethyl)carbamoyl]-2-[hexadecyl-[(E)-octadec-9-enyl]amino]pentanedioate CAS Name: 2-amino-4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-2-[hexadecyl-[(E)-octadec-9-enyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-amino-4-[(2-amino-2-oxoethyl)carbamoyl]-2-[hexadecyl-[(E)-octadec-9-enyl]amino]pentanedioate Traditional Name: 2-amino-4-[(2-amino-2-keto-ethyl)carbamoyl]-2-[cetyl-[(E)-octadec-9-enyl]amino]glutaric acid ditert-butyl ester Formula: C50H96N4O6 MolecularWeight: 849.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCC=CCCCCCCCC)C(CC(C(=O)NCC(=O)N)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC)C(CC(C(=O)NCC(=O)N)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C50H96N4O6/c1-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-54(39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-2)50(52,47(58)60-49(6,7)8)41-43(45(56)53-42-44(51)55)46(57)59-48(3,4)5/h23,25,43H,9-22,24,26-42,52H2,1-8H3,(H2,51,55)(H,53,56)/b25-23+