(E)-6-azanyl-7-(6-azanyl-2-isocyanato-hexanoyl)oxy-7-oxidanylidene-hept-4-enoic acid

Systemtic Name: (E)-6-azanyl-7-(6-azanyl-2-isocyanato-hexanoyl)oxy-7-oxidanylidene-hept-4-enoic acid Openeye Name: (E)-6-amino-7-(6-amino-2-isocyanato-hexanoyl)oxy-7-oxo-hept-4-enoic acid CAS Name: (E)-6-amino-7-(6-amino-2-isocyanato-1-oxohexoxy)-7-oxo-4-heptenoic acid IUPAC Name: (E)-6-amino-7-(6-amino-2-isocyanatohexanoyl)oxy-7-oxohept-4-enoic acid Traditional Name: (E)-6-amino-7-(6-amino-2-isocyanato-hexanoyl)oxy-7-keto-hept-4-enoic acid Formula: C14H21N3O6 MolecularWeight: 327.33304

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)OC(=O)C(C=CCCC(=O)O)N)N=C=O

Isomeric SMILES

C(CCN)CC(C(=O)OC(=O)C(/C=C/CCC(=O)O)N)N=C=O

InChI

InChI=1S/C14H21N3O6/c15-8-4-3-6-11(17-9-18)14(22)23-13(21)10(16)5-1-2-7-12(19)20/h1,5,10-11H,2-4,6-8,15-16H2,(H,19,20)/b5-1+