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Chemical structure of CART (55-102) (rat)

GC11131

CART (55-102) (rat)

Also known as 2-[[91-[[2-[[1-[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-24,44,62-tris(4-aminobutyl)-9-(2-amino-2-oxoethyl)-76-(3-amino-3-oxopropyl)-15-benzyl-50-butan-2-yl-4a,53,65-tris(3-carbamimidamidopropyl)-79-(2-carboxyethyl)-35,88-bis(carboxymethyl)-10a-(1-hydroxyethyl)-12,13a-bis(hydroxymethyl)-56,71,85-trimethyl-18,21,41-tris(2-methylpropyl)-2a,5a,7,8a,10,11a,13,14a,16,19,22,25,34,37,40,43,46,49,52,55,58,61,64,67,70,73,75,78,81,84,87,90,96-tritriacontaoxo-68-propan-2-yl-3,4,29,30,93,94-hexathia-3a,6a,8,9a,11,12a,14,15a,17,20,23,26,33,36,39,42,45,48,51,54,57,60,63,66,69,72,74,77,80,83,86,89,97-tritriacontazatetracyclo[36.35.22.206,32.097,101]pentadecahectane-27-carbonyl]amino]-4-methylpentanoic acid

CART with potent appetite-suppressing activity

ChemicalCAS209615-79-2MW5259.21FormulaC226H367N65O65S7
CAS number
209615-79-2
Molecular weight
5259.21
Formula
C226H367N65O65S7
Solubility
Soluble to 1 mg/ml in Water
InChIKey
XXBSYMBQWAWYIX-UHFFFAOYSA-N
Catalogue number
GC11131
Brand
GLPBIO
Computed properties PubChem CID 90488834 · XLogP -21.4 · TPSA 2280 Ų · H-bond donors 72
XLogP
-21.4
TPSA
2280 Ų
H-bond donors
72
H-bond acceptors
81
Rotatable bonds
108
Heavy atoms
363

SMILES CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N4CCCC4C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3)CO)C(C)O)CCCNC(=N)N)NC(=O)C(NC2=O)CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)CCCCN)CC(C)C)CC(C)C)CC5=CC=CC=C5)CO)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)C)CCCCN)CCCNC(=N)N)C(C)C)C)CCC(=O)N)CCC(=O)O)C)CC(=O)O)NC(=O)C(CCSC)NC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC8=CC=C(C=C8)O)NC(=O)C(C(C)CC)NC(=O)C9CCCN9C(=O)C(C(C)CC)N)CC(C)C)CCCCN

Computed descriptors from PubChem (CID 90488834), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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