sodium [(2S,3R,5S)-3-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-5-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-2-yl]-oxidanyl-phosphinate

Systemtic Name: sodium [(2S,3R,5S)-3-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-5-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-2-yl]-oxidanyl-phosphinate Openeye Name: sodium [(2S,3R,5S)-5-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]pyrrolidin-2-yl]-hydroxy-phosphinate CAS Name: sodium [(2S,3R,5S)-3-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-5-[[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-pyrrolidinyl]-hydroxyphosphinate IUPAC Name: sodium [(2S,3R,5S)-3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-5-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-2-yl]-hydroxyphosphinate Traditional Name: sodium [(2S,3R,5S)-5-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]pyrrolidin-2-yl]-hydroxy-phosphinate Formula: C28H27N3NaO8P MolecularWeight: 587.492811

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(NC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)P(=O)(O)[O-])CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O.[Na+]

Isomeric SMILES

C1[C@H]([C@@H](N[C@@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)P(=O)(O)[O-])CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O.[Na+]

InChI

InChI=1S/C28H28N3O8P.Na/c32-24(29-22(28(35)36)14-16-6-2-1-3-7-16)21-15-18(25(30-21)40(37,38)39)12-13-31-26(33)19-10-4-8-17-9-5-11-20(23(17)19)27(31)34;/h1-11,18,21-22,25,30H,12-15H2,(H,29,32)(H,35,36)(H2,37,38,39);/q;+1/p-1/t18-,21+,22+,25+;/m1./s1