Analyte Name

(1S,28R)-1-Amino-7,16,25,30-tetraoxo-9,12,18,21-tetraoxa-6,15,24,29-tetraazatetratriacontane-1,28,34-Tricarboxylic Acid

Molecular Formula

C29H51N5O14

Molecular Weight

693.75

Accurate Mass

693.34

SMILES

OC([C@@H](N)CCCCNC(COCCOCCNC(COCCOCCNC(CC[C@@H](NC(CCCCC(O)=O)=O)C(O)=O)=O)=O)=O)=O

InChI

InChI=1S/C29H51N5O14/c30-21(28(41)42)5-3-4-10-31-25(37)19-47-17-16-46-14-12-33-26(38)20-48-18-15-45-13-11-32-23(35)9-8-22(29(43)44)34-24(36)6-1-2-7-27(39)40/h21-22H,1-20,30H2,(H,31,37)(H,32,35)(H,33,38)(H,34,36)(H,39,40)(H,41,42)(H,43,44)/t21-,22+/m0/s1

IUPAC

(1S,28R)-1-Amino-7,16,25,30-tetraoxo-9,12,18,21-tetraoxa-6,15,24,29-tetraazatetratriacontane-1,28,34-Tricarboxylic Acid

Country of Origin

CANADA

Product Format

Neat