Abt-510
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular Identity
Abt-510
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID: 6918562
2D Structure
Properties
C46H83N13O11
Molecular Formula
994.20
Molecular Weight
g/mol
993.6335
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
358
TPSA
May have limited oral absorption
11
H-Bond Donors
12
H-Bond Acceptors
1830
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)CNC(=O)CN(C)C(=O)CIsomeric SMILES
SMILES: CCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN(C)C(=O)CSynonyms(20)
ABT-510251579-55-2ABT 510CRR8E37XOB(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R,3S)-2-[[(2S)-2-[[2-[[2-[acetyl(methyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamideABT-526DTXSID80870283L-Prolinamide, N-acetyl-N-methylglycylglycyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-L-arginyl-N-ethyl-(2S)-1-((2S)-2-(((2S,3S)-2-(((2S)-2-(((2S,3R)-2-(((2R,3S)-2-(((2S)-2-((2-((2-(acetyl(methyl)amino)acetyl)amino)acetyl)amino)-3-methylbutanoyl)amino)-3-methylpentanoyl)amino)-3-hydroxybutanoyl)amino)pentanoyl)amino)-3-methylpentanoyl)amino)-5-(diaminomethylideneamino)pentanoyl)-N-ethylpyrrolidine-2-carboxamideRefChem:108573DTXCID901511372UNII-CRR8E37XOBNac-sar-gly-val-(d-allo-ile)-thr-nva-ile-arg-pronet(S)-N-Ethyl-1-(((S)-2-((2S,3R)-3-hydroxy-2-((2R,3S)-3-methyl-2-((S)-3-methyl-2-(2-(2-(N-methylacetamido)acetamido)acetamido)butanamido)pentanamido)butanamido)pentanoyl)-L-isoleucyl-L-arginyl)pyrrolidine-2-carboxamideCHEMBL386115
Data from PubChem (NCBI)
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