methyl 5-azanyl-2-[2,5-bis(azanyl)pentanoyl-hexadecanoyl-amino]pentanoate

Systemtic Name: methyl 5-azanyl-2-[2,5-bis(azanyl)pentanoyl-hexadecanoyl-amino]pentanoate Openeye Name: methyl 5-amino-2-[2,5-diaminopentanoyl(hexadecanoyl)amino]pentanoate CAS Name: 5-amino-2-[(2,5-diamino-1-oxopentyl)-(1-oxohexadecyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 5-amino-2-[2,5-diaminopentanoyl(hexadecanoyl)amino]pentanoate Traditional Name: 5-amino-2-[2,5-diaminopentanoyl(hexadecanoyl)amino]valeric acid methyl ester Formula: C27H54N4O4 MolecularWeight: 498.74206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(C(CCCN)C(=O)OC)C(=O)C(CCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(C(CCCN)C(=O)OC)C(=O)C(CCCN)N

InChI

InChI=1S/C27H54N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(32)31(26(33)23(30)18-16-21-28)24(19-17-22-29)27(34)35-2/h23-24H,3-22,28-30H2,1-2H3