4-[bis(azanyl)methylideneamino]-2-[6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]hexoxycarbonylamino]butanoic acid

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2-[6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]hexoxycarbonylamino]butanoic acid Openeye Name: 2-[6-(2,4-dioxopyrimidin-1-yl)hexoxycarbonylamino]-4-guanidino-butanoic acid CAS Name: 4-(diaminomethylideneamino)-2-[[6-(2,4-dioxo-1-pyrimidinyl)hexoxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-(diaminomethylideneamino)-2-[6-(2,4-dioxopyrimidin-1-yl)hexoxycarbonylamino]butanoic acid Traditional Name: 2-[6-(2,4-diketopyrimidin-1-yl)hexoxycarbonylamino]-4-guanidino-butyric acid Formula: C16H26N6O6 MolecularWeight: 398.41424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCN=C(N)N)C(=O)O

InChI

InChI=1S/C16H26N6O6/c17-14(18)19-7-5-11(13(24)25)20-16(27)28-10-4-2-1-3-8-22-9-6-12(23)21-15(22)26/h6,9,11H,1-5,7-8,10H2,(H,20,27)(H,24,25)(H4,17,18,19)(H,21,23,26)