(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2R)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexan...

General Information

Structure

Molecular Formula

C₄₉H₆₃N₁₃O₆

Molecular Mass

930.10802

Exact Mass

929.5024268

Charge

InChI

InChI=1S/C49H63N13O6/c50-20-10-8-18-39(44(53)63)58-47(66)41(22-30-12-2-1-3-13-30)61-49(68)43(24-32-27-56-38-17-7-5-15-35(32)38)62-46(65)40(19-9-11-21-51)59-48(67)42(23-31-26-55-37-16-6-4-14-34(31)37)60-45(64)36(52)25-33-28-54-29-57-33/h1-7,12-17,26-29,36,39-43,55-56H,8-11,18-25,50-52H2,(H2,53,63)(H,54,57)(H,58,66)(H,59,67)(H,60,64)(H,61,68)(H,62,65)/t36-,39-,40+,41+,42+,43-/m0/s1

InChIKey

MGSNWNLPMHXGDD-DFWOJPNQSA-N

Canonic Smiles

NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]cn1)N

Isomeric Smiles

c1ccc(cc1)C[C@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]cn1)N

Calculated Properties

JChem

Acid pKa

11.886188

H Acceptors

H Donor

LogD (pH = 5.5)

-8.067953

LogD (pH = 7.4)

-5.198676

Log P

0.40213257

Molar Refractivity

256.4569

Polarizability

102.355255

Polar Surface Area

326.91

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2R)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]hexanamide

IUPAC name

Synonyms

[His1, D-Lys3, Lys6]-GHRP[D-Lys3]-GHRP-6His-D-Trp-D-Lys-Trp-D-Phe-Lys-NH2[D-Lys3]-Growth Hormone Releasing Peptide 6

Names and Identifiers

Registration numbers

MDL Number

MFCD00214665

PubChem CID

5311279

PubChem SID

162227195

Registration numbers