ethyl 4-[[2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-guanidino-pentanoyl]amino]benzoate CAS Name: 4-[[2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]benzoate Traditional Name: 4-[[2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-5-guanidino-pentanoyl]amino]benzoic acid ethyl ester Formula: C23H36N6O4 MolecularWeight: 460.56974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(CC2)CN

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(CC2)CN

InChI

InChI=1S/C23H36N6O4/c1-2-33-22(32)17-9-11-18(12-10-17)28-21(31)19(4-3-13-27-23(25)26)29-20(30)16-7-5-15(14-24)6-8-16/h9-12,15-16,19H,2-8,13-14,24H2,1H3,(H,28,31)(H,29,30)(H4,25,26,27)