[4-azanyl-7-[bis(azanyl)methylideneamino]-1-(octadecan-9-ylamino)heptyl] ethanoate

Systemtic Name: [4-azanyl-7-[bis(azanyl)methylideneamino]-1-(octadecan-9-ylamino)heptyl] ethanoate Openeye Name: [4-amino-7-guanidino-1-(1-octyldecylamino)heptyl] acetate CAS Name: acetic acid [4-amino-7-(diaminomethylideneamino)-1-(octadecan-9-ylamino)heptyl] ester IUPAC Name: [4-amino-7-(diaminomethylideneamino)-1-(octadecan-9-ylamino)heptyl] acetate Traditional Name: acetic acid [4-amino-7-guanidino-1-(1-octyldecylamino)heptyl] ester Formula: C28H59N5O2 MolecularWeight: 497.80036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)NC(CCC(CCCN=C(N)N)N)OC(=O)C

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)NC(CCC(CCCN=C(N)N)N)OC(=O)C

InChI

InChI=1S/C28H59N5O2/c1-4-6-8-10-12-14-16-20-26(19-15-13-11-9-7-5-2)33-27(35-24(3)34)22-21-25(29)18-17-23-32-28(30)31/h25-27,33H,4-23,29H2,1-3H3,(H4,30,31,32)