Neomyosuppressin

CAT: 0013-GTR19224481-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19224481-01Size:100 mg

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Description

Neomyosuppressin is a neuropeptide that inhibits muscle contraction, originally identified in the grey fleshfly (Neobellieria bullata) and Drosophila melanogaster. It serves as a key research tool in insect physiology and neuroendocrinology, facilitating studies on peptide signaling and myoregulatory functions in both in vivo and in vitro experimental models.

CAS Number

143458-86-0

Smiles

[C@@H] (CC1=CN=CN1) (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@H] ([C@@H] (C) O) N) =O) CC (O) =O) =O) [C@H] (C) C) =O) CC (O) =O) =O) C (N[C@H] (C (N[C@@H] (CC2=CC=CC=C2) C (N[C@H] (C (N[C@H] (C (N[C@@H] (CC3=CC=CC=C3) C (N) =O) =O) CCCNC (=N) N) =O) CC (C) C) =O) =O) [C@H] (C) C) =O

Molecular Formula

C58H86N16O15

Molecular Weight

1247.4

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Neomyosuppressin

myoinhibiting neuropeptide from the grey fleshfly, Neobellieria bullata & Drosophila

CAS Number	143458-86-0
PubChem CID	197486
IUPAC Name	(3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular Formula	C58H86N16O15
Molecular Weight	1247.4
XLogP	-3.8
Topological Polar Surface Area	515
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	38
Heavy Atom Count	89
Formal Charge	0
Complexity	2530

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)N)O

InChI

InChI=1S/C58H86N16O15/c1-29(2)21-38(50(82)66-36(19-14-20-64-58(61)62)49(81)67-37(48(60)80)22-33-15-10-8-11-16-33)68-51(83)39(23-34-17-12-9-13-18-34)71-56(88)46(30(3)4)73-53(85)40(24-35-27-63-28-65-35)69-52(84)41(25-43(76)77)72-57(89)47(31(5)6)74-54(86)42(26-44(78)79)70-55(87)45(59)32(7)75/h8-13,15-18,27-32,35-42,45-47,75H,14,19-26,59H2,1-7H3,(H2,60,80)(H,66,82)(H,67,81)(H,68,83)(H,69,84)(H,70,87)(H,71,88)(H,72,89)(H,73,85)(H,74,86)(H,76,77)(H,78,79)(H4,61,62,64)/t32-,35?,36+,37+,38+,39+,40+,41+,42+,45+,46+,47+/m1/s1

InChIKey

NCIJIHOWBUDKGT-DEKUHJIYSA-N

Chemical Structure

2D Structure

CAS: 143458-86-0

CID: 197486

Formula: C58H86N16O15

MW: 1247.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1247.4
XLogP3	-3.8
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	38
Exact Mass	1246.64585610
Monoisotopic Mass	1246.64585610
Topological Polar Surface Area	515 Å²
Heavy Atom Count	89
Formal Charge	0
Complexity	2530
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5775594	Neomyosuppressin
MBS1107925-01	Recombinant Sarcophaga bullata Neomyosuppressin (NEMS)

Neomyosuppressin

Chemical Information

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