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5-[bis(azanyl)methylideneamino]-2-(docosanoylamino)pentanoic acid

5-[bis(azanyl)methylideneamino]-2-(docosanoylamino)pentanoic acid

Systemtic Name:5-[bis(azanyl)methylideneamino]-2-(docosanoylamino)pentanoic acid
Openeye Name:2-(docosanoylamino)-5-guanidino-pentanoic acid
CAS Name:5-(diaminomethylideneamino)-2-(1-oxodocosylamino)pentanoic acid
IUPAC Name:5-(diaminomethylideneamino)-2-(docosanoylamino)pentanoic acid
Traditional Name:2-(docosanoylamino)-5-guanidino-valeric acid
Formula: C28H56N4O3
MolecularWeight: 496.76924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O


InChI

InChI=1S/C28H56N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(33)32-25(27(34)35)22-21-24-31-28(29)30/h25H,2-24H2,1H3,(H,32,33)(H,34,35)(H4,29,30,31)


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