2-[carboxymethyl-[6-methyl-1,4-bis(phosphonomethyl)-1,4-diazepan-6-yl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[6-methyl-1,4-bis(phosphonomethyl)-1,4-diazepan-6-yl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[6-methyl-1,4-bis(phosphonomethyl)-1,4-diazepan-6-yl]amino]acetic acid CAS Name: 2-[carboxymethyl-[6-methyl-1,4-bis(phosphonomethyl)-1,4-diazepan-6-yl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[6-methyl-1,4-bis(phosphonomethyl)-1,4-diazepan-6-yl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[6-methyl-1,4-bis(phosphonomethyl)-1,4-diazepan-6-yl]amino]acetic acid Formula: C12H25N3O10P2 MolecularWeight: 433.288522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(C1)CP(=O)(O)O)CP(=O)(O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1(CN(CCN(C1)CP(=O)(O)O)CP(=O)(O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H25N3O10P2/c1-12(15(4-10(16)17)5-11(18)19)6-13(8-26(20,21)22)2-3-14(7-12)9-27(23,24)25/h2-9H2,1H3,(H,16,17)(H,18,19)(H2,20,21,22)(H2,23,24,25)