2040964-58-5
(2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]butanediamide
Molecular Identity
2040964-58-5
(2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]butanediamide
PubChem CID: 122677428
2D Structure
Properties
C71H100N18O16
Molecular Formula
1461.70
Molecular Weight
g/mol
1460.7565
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
550
TPSA
May have limited oral absorption
19
H-Bond Donors
19
H-Bond Acceptors
2890
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
2040964-58-5XelafaslatideXNA75YDV3FONL1204ONL-1204His-His-Ile-Tyr-Leu-Gly-Ala-Val-Asn-Tyr-Ile-Tyr-NH2RefChem:928217UNII-XNA75YDV3FL-Histidyl-L-histidyl-L-isoleucyl-L-tyrosyl-L-leucylglycyl-L-alanyl-L-valyl-L-asparaginyl-L-tyrosyl-L-isoleucyl-L-tyrosinamideorb1739508SCHEMBL18214307SCHEMBL29649710HY-P10227His-His-lle-Tyr-Leu-Gly-Ala-Val-Asn-Tyr-lle-Tyr-NH2
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 2040964-58-5
Loading drug network...