Cionin

CAT: 0926-FC108572-02Size: 1000 µgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FC108572-02Size:1000 µg

Selected

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

Quick Request Actions

CAS Number

126985-56-6

Synonyms

H-Asn-Tyr (SO3H) -Tyr (SO3H) -Gly-Trp-Met-Asp-Phe-NH2

MDL Number

MFCD01861103

Smiles

CSCC[C@@H] (C (=O) NC (CC (=O) O) C (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) N) NC (=O) [C@H] (CC2=CNC3=CC=CC=C32) NC (=O) CNC (=O) [C@H] (CC4=CC=C (C=C4) OS (=O) (=O) O) NC (=O) [C@H] (CC5=CC=C (C=C5) OS (=O) (=O) O) NC (=O) [C@H] (CC (=O) N) N

Molecular Formula

C53H63N11O19S3

Molecular Weight

1,254.33 g/mol

Controlled

Chemical Information

Cionin

disulfotyrosyl hybrid of cholecystokinin & gastrin; from the neural ganglion of the protochordate Ciona intestinalis; amino acid sequence given in first source

CAS Number	126985-56-6
PubChem CID	3083069
IUPAC Name	4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Molecular Formula	C53H63N11O19S3
Molecular Weight	1254.3
XLogP	-3.3
Topological Polar Surface Area	538
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	34
Heavy Atom Count	86
Formal Charge	0
Complexity	2570

SMILES

CSCC[C@@H](C(=O)NC(CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C53H63N11O19S3/c1-84-20-19-38(50(72)64-43(26-46(67)68)53(75)61-39(47(56)69)21-29-7-3-2-4-8-29)60-52(74)42(24-32-27-57-37-10-6-5-9-35(32)37)59-45(66)28-58-49(71)40(22-30-11-15-33(16-12-30)82-85(76,77)78)63-51(73)41(62-48(70)36(54)25-44(55)65)23-31-13-17-34(18-14-31)83-86(79,80)81/h2-18,27,36,38-43,57H,19-26,28,54H2,1H3,(H2,55,65)(H2,56,69)(H,58,71)(H,59,66)(H,60,74)(H,61,75)(H,62,70)(H,63,73)(H,64,72)(H,67,68)(H,76,77,78)(H,79,80,81)/t36-,38-,39-,40-,41-,42-,43?/m0/s1

InChIKey

SMWALVPHKGXESK-BMIPBODUSA-N

Chemical Structure

2D Structure

CAS: 126985-56-6

CID: 3083069

Formula: C53H63N11O19S3

MW: 1254.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1254.3
XLogP3	-3.3
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	34
Exact Mass	1253.34638234
Monoisotopic Mass	1253.34638234
Topological Polar Surface Area	538 Å²
Heavy Atom Count	86
Formal Charge	0
Complexity	2570
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
MBS659477-01	Cionin
MBS1130432-01	Recombinant Ciona intestinalis Cionin

Cionin

Chemical Information

Alternative Products

Popular Products