(S)-2-(3,6-Bis(dimethylamino)xanthylium-9-yl)-5-((2,3-diamino-3-oxopropyl)carbamoyl)benzoate

Analyte Name

(S)-2-(3,6-Bis(dimethylamino)xanthylium-9-yl)-5-((2,3-diamino-3-oxopropyl)carbamoyl)benzoate

Molecular Formula

C28 H29 N5 O5

Molecular Weight

515.56

Accurate Mass

515.217

SMILES

CN(C)c1ccc2c(c3ccc(cc3C(=O)[O-])C(=O)NC[C@H](N)C(=O)N)c4ccc(cc4[o+]c2c1)N(C)C

InChI

InChI=1S/C28H29N5O5/c1-32(2)16-6-9-19-23(12-16)38-24-13-17(33(3)4)7-10-20(24)25(19)18-8-5-15(11-21(18)28(36)37)27(35)31-14-22(29)26(30)34/h5-13,22H,14,29H2,1-4H3,(H3-,30,31,34,35,36,37)/t22-/m0/s1

IUPAC

2-[3,6-bis(dimethylamino)xanthen-10-ium-9-yl]-5-[[(2S)-2,3-diamino-3-oxopropyl]carbamoyl]benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat