[4-[2-(2-azanylethanoylamino)propanoylamino]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[2-(2-azanylethanoylamino)propanoylamino]-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[2-[(2-aminoacetyl)amino]propanoylamino]-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[2-[(2-aminoacetyl)amino]propanoylamino]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[2-(glycylamino)propanoylamino]-1-phosphono-butyl]phosphonic acid Formula: C9H21N3O8P2 MolecularWeight: 361.225862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(P(=O)(O)O)P(=O)(O)O)NC(=O)CN

Isomeric SMILES

CC(C(=O)NCCCC(P(=O)(O)O)P(=O)(O)O)NC(=O)CN

InChI

InChI=1S/C9H21N3O8P2/c1-6(12-7(13)5-10)9(14)11-4-2-3-8(21(15,16)17)22(18,19)20/h6,8H,2-5,10H2,1H3,(H,11,14)(H,12,13)(H2,15,16,17)(H2,18,19,20)