Certepetide
2-[(6S,9S,15S,18R,23R,26S,29S)-18-acetamido-6-(4-aminobutyl)-23-carbamoyl-26-(carboxymethyl)-15-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-9-yl]acetic acid
Molecular Identity
Certepetide
2-[(6S,9S,15S,18R,23R,26S,29S)-18-acetamido-6-(4-aminobutyl)-23-carbamoyl-26-(carboxymethyl)-15-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-9-yl]acetic acid
PubChem CID: 164886680
2D Structure
Properties
C37H60N14O14S2
Molecular Formula
989.10
Molecular Weight
g/mol
988.3855
Exact Mass
Da
-9.4
XLogP
Drug-like (Lipinski: < 5)
512
TPSA
May have limited oral absorption
14
H-Bond Donors
18
H-Bond Acceptors
1870
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
Certepetide2580154-02-3Certepetide [INN]UNII-7PF4546T2P7PF4546T2PL-Cysteinamide, N-acetyl-L-cysteinyl-L-arginylglycyl-L-alpha-aspartyl-L-lysylglycyl-L-prolyl-L-alpha-aspartyl-, cyclic (1->9)-disulfideS1,S9-cyclo(N-acetyl-L-cysteinyl-L-arginylglycyl-L-alpha-aspartyl-L-lysylglycyl-L-prolyl-L-alpha-aspartyl-L-cysteinamide)CEND-1;iRGDorb1981195HY-P3448DA-72098CS-0542311H614472-[(6S,9S,15S,18R,23R,26S,29S)-18-acetamido-6-(4-aminobutyl)-23-carbamoyl-26-(carboxymethyl)-15-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,17,25,28-octaoxo-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-9-yl]acetic acid
Data from PubChem (NCBI)
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