Analyte Name

Microginin-d4

Molecular Formula

C37 D4 H51 N5 O9

Molecular Weight

717.885

Accurate Mass

717.425

SMILES

[2H]C([2H])([2H])C([2H])(NC(=O)[C@H](O)[C@@H](N)CCCCCCC)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)NC(Cc2ccc(O)cc2)C(=O)O

InChI

InChI=1S/C37H55N5O9/c1-6-7-8-9-10-11-28(38)32(45)35(48)39-23(4)33(46)41-31(22(2)3)36(49)42(5)30(21-25-14-18-27(44)19-15-25)34(47)40-29(37(50)51)20-24-12-16-26(43)17-13-24/h12-19,22-23,28-32,43-45H,6-11,20-21,38H2,1-5H3,(H,39,48)(H,40,47)(H,41,46)(H,50,51)/t23?,28-,29?,30-,31-,32+/m0/s1/i4D3,23D

IUPAC

2-[[(2S)-2-[[(2S)-2-[[2-[[(2R,3S)-3-amino-2-hydroxydecanoyl]amino]-2,3,3,3-tetradeuteriopropanoyl]amino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Unlabelled CAS Number

148207-43-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat