ethyl 5-[bis(azanyl)methylideneamino]-2-[(2-piperidin-4-yl-1,3-oxazol-4-yl)carbonylamino]pentanoate

Systemtic Name: ethyl 5-[bis(azanyl)methylideneamino]-2-[(2-piperidin-4-yl-1,3-oxazol-4-yl)carbonylamino]pentanoate Openeye Name: ethyl 5-guanidino-2-[[2-(4-piperidyl)oxazole-4-carbonyl]amino]pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[[oxo-[2-(4-piperidinyl)-4-oxazolyl]methyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-(diaminomethylideneamino)-2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanoate Traditional Name: 5-guanidino-2-[[2-(4-piperidyl)oxazole-4-carbonyl]amino]valeric acid ethyl ester Formula: C17H28N6O4 MolecularWeight: 380.44202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=COC(=N1)C2CCNCC2

Isomeric SMILES

CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=COC(=N1)C2CCNCC2

InChI

InChI=1S/C17H28N6O4/c1-2-26-16(25)12(4-3-7-21-17(18)19)22-14(24)13-10-27-15(23-13)11-5-8-20-9-6-11/h10-12,20H,2-9H2,1H3,(H,22,24)(H4,18,19,21)