[1-oxidanyl-4-[[3-phenyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-oxidanyl-4-[[3-phenyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]-3-phenylpropyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-[[3-phenyl-2-(prolylamino)propanoyl]amino]-1-phosphono-butyl]phosphonic acid Formula: C18H29N3O9P2 MolecularWeight: 493.385082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H29N3O9P2/c22-16(20-11-5-9-18(24,31(25,26)27)32(28,29)30)15(12-13-6-2-1-3-7-13)21-17(23)14-8-4-10-19-14/h1-3,6-7,14-15,19,24H,4-5,8-12H2,(H,20,22)(H,21,23)(H2,25,26,27)(H2,28,29,30)