2-[[2-[(1-azanyl-1-oxidanylidene-pent-4-en-2-yl)-(carboxymethyl)amino]cyclohexyl]amino]propanedioic acid

Systemtic Name: 2-[[2-[(1-azanyl-1-oxidanylidene-pent-4-en-2-yl)-(carboxymethyl)amino]cyclohexyl]amino]propanedioic acid Openeye Name: 2-[[2-[1-carbamoylbut-3-enyl(carboxymethyl)amino]cyclohexyl]amino]propanedioic acid CAS Name: 2-[[2-[(1-amino-1-oxopent-4-en-2-yl)-(carboxymethyl)amino]cyclohexyl]amino]propanedioic acid IUPAC Name: 2-[[2-[(1-amino-1-oxopent-4-en-2-yl)-(carboxymethyl)amino]cyclohexyl]amino]propanedioic acid Traditional Name: 2-[[2-[1-carbamoylbut-3-enyl(carboxymethyl)amino]cyclohexyl]amino]malonic acid Formula: C16H25N3O7 MolecularWeight: 371.3856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)N)N(CC(=O)O)C1CCCCC1NC(C(=O)O)C(=O)O

Isomeric SMILES

C=CCC(C(=O)N)N(CC(=O)O)C1CCCCC1NC(C(=O)O)C(=O)O

InChI

InChI=1S/C16H25N3O7/c1-2-5-11(14(17)22)19(8-12(20)21)10-7-4-3-6-9(10)18-13(15(23)24)16(25)26/h2,9-11,13,18H,1,3-8H2,(H2,17,22)(H,20,21)(H,23,24)(H,25,26)