(E)-2-azanyl-6-[[(4R)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hept-3-enedioic acid

Systemtic Name: (E)-2-azanyl-6-[[(4R)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hept-3-enedioic acid Openeye Name: (E)-2-amino-6-[[(4R)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]hept-3-enedioic acid CAS Name: (E)-2-amino-6-[[(4R)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-heptenedioic acid IUPAC Name: (E)-2-amino-6-[[(4R)-4-amino-5-hydroxy-5-oxopentanoyl]amino]hept-3-enedioic acid Traditional Name: (E)-2-amino-6-[[(4R)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]hept-3-enedioic acid Formula: C12H19N3O7 MolecularWeight: 317.29516

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CC=CC(C(=O)O)N)C(=O)O)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)NC(C/C=C/C(C(=O)O)N)C(=O)O)[C@H](C(=O)O)N

InChI

InChI=1S/C12H19N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h1-2,6-8H,3-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/b2-1+/t6?,7-,8?/m1/s1