[4-[2-[4-(2-methylpropyl)phenyl]ethanoylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[2-[4-(2-methylpropyl)phenyl]ethanoylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[[2-(4-isobutylphenyl)acetyl]amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[2-[4-(2-methylpropyl)phenyl]-1-oxoethyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-[[2-(4-isobutylphenyl)acetyl]amino]-1-phosphono-butyl]phosphonic acid Formula: C16H27NO8P2 MolecularWeight: 423.335002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H27NO8P2/c1-12(2)10-13-4-6-14(7-5-13)11-15(18)17-9-3-8-16(19,26(20,21)22)27(23,24)25/h4-7,12,19H,3,8-11H2,1-2H3,(H,17,18)(H2,20,21,22)(H2,23,24,25)