8Eutmepn0L
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular Identity
8Eutmepn0L
(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-1-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 172866231
2D Structure
Properties
C110H179N31O40
Molecular Formula
2575.80
Molecular Weight
g/mol
2575.2959
Exact Mass
Da
-12.7
XLogP
Drug-like (Lipinski: < 5)
1140
TPSA
May have limited oral absorption
36
H-Bond Donors
43
H-Bond Acceptors
6050
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC(=O)O)C(=O)N5CCCC5C(=O)NC(C)C(=O)NC(CO)C(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)NSynonyms(8)
ALM201ALM-2018EUTMEPN0LCHEMBL6068535959961-27-4Ile-Arg-Gln-Gln-Pro-Arg-Asp-Pro-Pro-Thr-Glu-Thr-Leu-Glu-Leu-Glu-Val-Ser-Pro-Asp-Pro-Ala-SerL-Isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-alpha-aspartyl-L-prolyl-L-prolyl-L-threonyl-L-alpha-glutamyl-L-threonyl-L-leucyl-L-alpha-glutamyl-L-leucyl-L-alpha-glutamyl-L-valyl-L-seryl-L-prolyl-L-alpha-aspartyl-L-prolyl-L-alanyl-L-serineL-Serine, L-isoleucyl-L-arginyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-arginyl-L-alpha-aspartyl-L-prolyl-L-prolyl-L-threonyl-L-alpha-glutamyl-L-threonyl-L-leucyl-L-alpha-glutamyl-L-leucyl-L-alpha-glutamyl-L-valyl-L-seryl-L-prolyl-L-alpha-aspartyl-L-prolyl-L-alanyl-
Data from PubChem (NCBI)
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