Rotigaptide
(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular Identity
Rotigaptide
(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID: 9938933
Rotigaptide is a peptide.
2D Structure
Properties
C28H39N7O9
Molecular Formula
617.70
Molecular Weight
g/mol
617.2809
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
241
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rotigaptide355151-12-1ZP-123ZP-123 (ZEALAND)GFA1W6KO7NrotigaptidaAc-d-Tyr-d-Pro-d-Hyp-Gly-d-Ala-Gly-NH2(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamiderotigaptidum(2R,4S)-1-((2R)-1-((2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carbonyl)-N-(2-(((2R)-1-((2-amino-2-oxoethyl)amino)-1-oxopropan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamideZP123 peptideRefChem:179950DTXCID10111515Ac-Tyr-Pro-Hyp-Gly-Ala-Gly-NH2(2R)-N-(carbamoylmethyl)-2-(2-(((2R,4S)-1-((2R)-1-((2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl)formamido)acetamido)propanamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rotigaptide
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