Pancragen 20mg (Bioregulator)

Properties

Molecular Formula
C26H36N6O9

Molecular Weight
576.6

Monoisotopic Mass
576.25437675

Polar Area
267

Complexity
948

XLogP
-6.5

Heavy Atom Count
41

Hydrogen Bond Donor Count
9

Hydrogen Bond Acceptor Count
11

Rotatable Bond Count
18

PubChem LCSS
H-Lys-Glu-Asp-Trp-OH Laboratory Chemical Safety Summary

Identifiers

CID
68452877

InChI
InChI=1S/C26H36N6O9/c27-10-4-3-6-16(28)23(37)30-18(8-9-21(33)34)24(38)31-19(12-22(35)36)25(39)32-20(26(40)41)11-14-13-29-17-7-2-1-5-15(14)17/h1-2,5,7,13,16,18-20,29H,3-4,6,8-12,27-28H2,(H,30,37)(H,31,38)(H,32,39)(H,33,34)(H,35,36)(H,40,41)/t16-,18-,19-,20-/m0/s1

InChIKey
PIGJHNNSOMRLST-LEAZDLGRSA-N

Isometric SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N

Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N

IUPAC Name
(4S)-5-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid