4-(3-azanylbutylamino)butyl N-[6-[bis(azanyl)methylideneamino]hexylcarbamoyl]-N-methyl-carbamate

Systemtic Name: 4-(3-azanylbutylamino)butyl N-[6-[bis(azanyl)methylideneamino]hexylcarbamoyl]-N-methyl-carbamate Openeye Name: 4-(3-aminobutylamino)butyl N-(6-guanidinohexylcarbamoyl)-N-methyl-carbamate CAS Name: N-[[6-(diaminomethylideneamino)hexylamino]-oxomethyl]-N-methylcarbamic acid 4-(3-aminobutylamino)butyl ester IUPAC Name: 4-(3-aminobutylamino)butyl N-[6-(diaminomethylideneamino)hexylcarbamoyl]-N-methylcarbamate Traditional Name: N-(6-guanidinohexylcarbamoyl)-N-methyl-carbamic acid 4-(3-aminobutylamino)butyl ester Formula: C18H39N7O3 MolecularWeight: 401.54736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCCCCOC(=O)N(C)C(=O)NCCCCCCN=C(N)N)N

Isomeric SMILES

CC(CCNCCCCOC(=O)N(C)C(=O)NCCCCCCN=C(N)N)N

InChI

InChI=1S/C18H39N7O3/c1-15(19)9-13-22-10-7-8-14-28-18(27)25(2)17(26)24-12-6-4-3-5-11-23-16(20)21/h15,22H,3-14,19H2,1-2H3,(H,24,26)(H4,20,21,23)