[4-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethanoyl-methyl-amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethanoyl-methyl-amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetyl]-methyl-amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-oxoethyl]-methylamino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetyl]-methylamino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetyl]-methyl-amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C10H21ClN4O10P2 MolecularWeight: 454.695062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)CNC(=O)N(CCCl)N=O

Isomeric SMILES

CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)CNC(=O)N(CCCl)N=O

InChI

InChI=1S/C10H21ClN4O10P2/c1-14(8(16)7-12-9(17)15(13-19)6-4-11)5-2-3-10(18,26(20,21)22)27(23,24)25/h18H,2-7H2,1H3,(H,12,17)(H2,20,21,22)(H2,23,24,25)