Risuteganib
(2S)-1-[(2S,3R)-2-[[(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfopropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
Molecular Identity
Risuteganib
(2S)-1-[(2S,3R)-2-[[(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfopropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
PubChem CID: 130476723
2D Structure
Properties
C22H39N9O11S
Molecular Formula
637.70
Molecular Weight
g/mol
637.2490
Exact Mass
Da
-8.1
XLogP
Drug-like (Lipinski: < 5)
347
TPSA
May have limited oral absorption
10
H-Bond Donors
13
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
RisuteganibLuminate1307293-62-4ALG1001123DNA66IAGLY-ARG-GLY-CYA-THR-PROGlycyl-L-arginylglycyl-3-sulfo-L-alanyl-L-threonyl-L-prolineL-Proline, glycyl-L-arginylglycyl-3-sulfo-L-alanyl-L-threonyl-risuteganibumRefChem:930785(2S)-1-((2S,3R)-2-((2R)-2-(2-((2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido)acetamido)-3-sulfopropanamido)-3-hydroxybutanoyl)pyrrolidine-2-carboxylic acidALG-1001Risuteganib [USAN]ALG1001 (Risuteganib)UNII-123DNA66IA
Data from PubChem (NCBI)
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