2-[2-[(3-azanyl-3,3-diphosphono-propyl)amino]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[(3-azanyl-3,3-diphosphono-propyl)amino]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-amino-3,3-diphosphono-propyl)amino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(3-amino-3,3-diphosphonopropyl)amino]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(3-amino-3,3-diphosphono-propyl)amino]acetyl]amino]-4-methyl-valeric acid Formula: C11H25N3O9P2 MolecularWeight: 405.278422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H25N3O9P2/c1-7(2)5-8(10(16)17)14-9(15)6-13-4-3-11(12,24(18,19)20)25(21,22)23/h7-8,13H,3-6,12H2,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)