Proctolin

CAT: 0931-TP1868-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TP1868-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

57966-42-4

Target

Others, Endogenous Metabolite

Related Pathways

Others, Metabolism

Purity

>99.99%

Bioactivity

Proctolin is a bioactive neuropeptide that modulates interneuronal and neuromuscular synaptic transmission in a wide variety of arthropods.

Smiles

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O

Molecular Formula

C30H48N8O8

Molecular Weight

648.75

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Proctolin

Proctolin is a peptide.

CAS Number	57966-42-4
PubChem CID	123786
IUPAC Name	(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
Molecular Formula	C30H48N8O8
Molecular Weight	648.8
XLogP	-4.5
Topological Polar Surface Area	276
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	17
Heavy Atom Count	46
Formal Charge	0
Complexity	1080

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C30H48N8O8/c1-16(2)14-22(28(44)38-13-5-7-23(38)27(43)37-24(17(3)39)29(45)46)36-26(42)21(15-18-8-10-19(40)11-9-18)35-25(41)20(31)6-4-12-34-30(32)33/h8-11,16-17,20-24,39-40H,4-7,12-15,31H2,1-3H3,(H,35,41)(H,36,42)(H,37,43)(H,45,46)(H4,32,33,34)/t17-,20+,21+,22+,23+,24+/m1/s1

InChIKey

KKUPPLMEDQDAJX-UEHMALFGSA-N

Chemical Structure

2D Structure

CAS: 57966-42-4

CID: 123786

Formula: C30H48N8O8

MW: 648.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	648.8
XLogP3	-4.5
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	17
Exact Mass	648.35951052
Monoisotopic Mass	648.35951052
Topological Polar Surface Area	276 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS8246968-01	Proctolin

Proctolin

Chemical Information

Alternative Products

Popular Products