BGC-945 Trisodium Salt

Product Specifications

CAS Number

1097638-00-0

Synonyms

Hazard Statement

No Data Available

Smiles

[Na+].[Na+].[Na+].OCC1=Nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])c3cc2C(=O)N1

Molecular Formula

C32 H30 N5 O10 . 3 Na

Molecular Weight

713.577

InChI

InChI=1S/C32H33N5O10.3Na/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41;;;/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,4

Additionnal Information

IUPAC name: trisodium;(2R)-2-[[(4S)-4-carboxylato-4-[[4-[[(6S)-2-(hydroxymethyl)-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioate