Pentapeptide-18 (Leuphasyl) 200mg (Topical)

Properties

Molecular Formula
C29H39N5O7

Molecular Weight
569.6

Monoisotopic Mass
569.2849486

Polar Area
200

Complexity
885

XLogP
-1.9

Heavy Atom Count
41

Hydrogen Bond Donor Count
7

Hydrogen Bond Acceptor Count
8

Rotatable Bond Count
15

PubChem LCSS
Tyr-D-Ala-Gly-Phe-Leu Laboratory Chemical Safety Summary

Identifiers

CID
92223068

InChI
InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22-,23+,24+/m1/s1

InChIKey
ZHUJMSMQIPIPTF-LKDDOFHYSA-N

Isometric SMILES
C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H](CC2=CC=C(C=C2)O)N

Canonical SMILES
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

IUPAC Name
(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid