sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-[(4-azidophenyl)carbonylamino]octyl]-oxidanyl-phosphinate

Systemtic Name: sodium [(2E)-2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propylidene)-8-[(4-azidophenyl)carbonylamino]octyl]-oxidanyl-phosphinate Openeye Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxo-propylidene)-8-[(4-azidobenzoyl)amino]octyl]-hydroxy-phosphinate CAS Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-[[(4-azidophenyl)-oxomethyl]amino]octyl]-hydroxyphosphinate IUPAC Name: sodium [(2E)-2-(2-amino-3-hydroxy-3-oxopropylidene)-8-[(4-azidobenzoyl)amino]octyl]-hydroxyphosphinate Traditional Name: sodium [(E)-4-amino-2-[6-[(4-azidobenzoyl)amino]hexyl]-5-hydroxy-5-keto-pent-2-enyl]-hydroxy-phosphinate Formula: C18H25N5NaO6P MolecularWeight: 461.384531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)[O-])N=[N+]=[N-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCCCC/C(=C\C(C(=O)O)N)/CP(=O)(O)[O-])N=[N+]=[N-].[Na+]

InChI

InChI=1S/C18H26N5O6P.Na/c19-16(18(25)26)11-13(12-30(27,28)29)5-3-1-2-4-10-21-17(24)14-6-8-15(9-7-14)22-23-20;/h6-9,11,16H,1-5,10,12,19H2,(H,21,24)(H,25,26)(H2,27,28,29);/q;+1/p-1/b13-11+;