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Carassin

CAT: 1601-CCP2166-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2166-02Size:5 mg
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Description
Peptide to Carassin
CAS Number
133950-47-7
Structure Composition
Ser-Pro-Ala-Asn-Ala-Gln-Ile-Thr-Arg-Lys-Arg-His-Lys-Ile-Asn-Ser-Phe-Val-Gly-Leu-Met-NH2
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C103H175N35O27S
Molecular Weight
2367.83
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Carassin

tachykinin that is structurally related to neurpeptide gamma; from the brain of the goldfish; amino acid sequence given in first source

CAS Number133950-47-7
PubChem CID16132440
IUPAC NameN-[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[6-amino-1-[[1-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[2-[[4-amino-2-[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]pentanediamide
Molecular FormulaC103H175N35O27S
Molecular Weight2367.8
XLogP-8.6
Topological Polar Surface Area1060
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count34
Rotatable Bond Count82
Heavy Atom Count166
Formal Charge0
Complexity5090
SMILES
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CO)N
InChI
InChI=1S/C103H175N35O27S/c1-13-53(7)79(98(162)132-71(45-76(109)144)93(157)133-72(49-140)95(159)130-68(42-58-25-16-15-17-26-58)94(158)134-78(52(5)6)97(161)118-47-77(145)122-67(41-51(3)4)91(155)123-61(82(110)146)34-40-166-12)135-88(152)63(28-19-21-36-105)127-92(156)69(43-59-46-115-50-119-59)131-87(151)64(29-22-37-116-102(111)112)126-85(149)62(27-18-20-35-104)125-86(150)65(30-23-38-117-103(113)114)128-100(164)81(57(11)141)137-99(163)80(54(8)14-2)136-89(153)66(32-33-74(107)142)124-83(147)55(9)120-90(154)70(44-75(108)143)129-84(148)56(10)121-96(160)73-31-24-39-138(73)101(165)60(106)48-139/h15-17,25-26,46,50-57,60-73,78-81,139-141H,13-14,18-24,27-45,47-49,104-106H2,1-12H3,(H2,107,142)(H2,108,143)(H2,109,144)(H2,110,146)(H,115,119)(H,118,161)(H,120,154)(H,121,160)(H,122,145)(H,123,155)(H,124,147)(H,125,150)(H,126,149)(H,127,156)(H,128,164)(H,129,148)(H,130,159)(H,131,151)(H,132,162)(H,133,157)(H,134,158)(H,135,152)(H,136,153)(H,137,163)(H4,111,112,116)(H4,113,114,117)
InChIKey
VXMDZQYTUMGZBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carassin
CAS: 133950-47-7
CID: 16132440
Formula: C103H175N35O27S
MW: 2367.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2367.8
XLogP3-8.6
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count34
Rotatable Bond Count82
Exact Mass2367.3150915
Monoisotopic Mass2366.3117366
Topological Polar Surface Area1060 Ų
Heavy Atom Count166
Formal Charge0
Complexity5090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count23
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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SP-89063-1Carassin (Carrassius Auratus) (AA: Ser-Pro-Ala-Asn-Ala-Gln-Ile-Thr-Arg-Lys-Arg-His-Lys-Ile-Asn-Ser-Phe-Val-Gly-Leu-Met-NH2) (MW: 2367.83)

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