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: CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CN)OIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)OSynonyms(20)
RisuteganibLuminate1307293-62-4ALG1001123DNA66IAL-Proline, glycyl-L-arginylglycyl-3-sulfo-L-alanyl-L-threonyl-GLY-ARG-GLY-CYA-THR-PROGlycyl-L-arginylglycyl-3-sulfo-L-alanyl-L-threonyl-L-prolinerisuteganibumRefChem: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]UNII-123DNA66IAALG1001 (Risuteganib)
Data from PubChem (NCBI)
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Drug Network
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