Rimtoregtide
(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Molecular Identity
Rimtoregtide
(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
PubChem CID: 162625091
2D Structure
Properties
C65H101N19O22
Molecular Formula
1500.60
Molecular Weight
g/mol
1499.7369
Exact Mass
Da
-4.7
XLogP
Drug-like (Lipinski: < 5)
612
TPSA
May have limited oral absorption
20
H-Bond Donors
24
H-Bond Acceptors
3130
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC3=CN=CN3)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NC(C)C(=O)NCC(=O)NC(CO)C(=O)O)NC(=O)CIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)CSynonyms(14)
Rimtoregtide2251722-35-5Rimtoregtide [INN]UNII-NYA2G8ZG88NYA2G8ZG88L-Serine, N-acetyl-L-isoleucylglycyl-L-leucyl-L-histidyl-L-alpha-aspartyl-L-prolyl-L-seryl-L-histidylglycyl-L-threonyl-L-leucyl-L-prolyl-L-alanylglycyl-orb2278660HTD4010GLXC-27906HY-P3377DA-57452MS-32190CS-0376567T78376
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Rimtoregtide
Loading drug network...