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

Systemtic Name: methyl 5-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-hexadecanoyl-amino]pentanoate Openeye Name: methyl 5-amino-2-[(2-amino-5-guanidino-pentanoyl)-hexadecanoyl-amino]pentanoate CAS Name: 5-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-(1-oxohexadecyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 5-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]-hexadecanoylamino]pentanoate Traditional Name: 5-amino-2-[(2-amino-5-guanidino-pentanoyl)-hexadecanoyl-amino]valeric acid methyl ester Formula: C28H56N6O4 MolecularWeight: 540.78204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56N6O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(35)34(24(19-16-21-29)27(37)38-2)26(36)23(30)18-17-22-33-28(31)32/h23-24H,3-22,29-30H2,1-2H3,(H4,31,32,33)