Analyte Name

Hypertrehalosemic Hormone (Phormia Terrae-novae)

CAS Number

129204-82-6

Molecular Formula

C47H62N10O13

Molecular Weight

975.05

Accurate Mass

974.4498

SMILES

CC(C)C[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)NC(CC(=O)O)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)N

InChI

InChI=1S/C47H62N10O13/c1-24(2)18-32(52-41(64)30-15-16-37(60)50-30)44(67)56-39(25(3)59)46(69)54-33(19-26-10-5-4-6-11-26)42(65)55-35(23-58)47(70)57-17-9-14-36(57)45(68)53-34(21-38(61)62)43(66)51-31(40(48)63)20-27-22-49-29-13-8-7-12-28(27)29/h4-8,10-13,22,24-25,30-36,39,49,58-59H,9,14-21,23H2,1-3H3,(H2,48,63)(H,50,60)(H,51,66)(H,52,64)(H,53,68)(H,54,69)(H,55,65)(H,56,67)(H,61,62)/t25-,30-,31?,32+,33+,34?,35+,36+,39+/m1/s1

IUPAC

4-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat