Basic information
- CAS
125600-60-4- Standard SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC)C(C)(C)C- InChIKey
BLWANJSERJECRU-ULWXFTFZSA-N- Molecular formula
- C43H71N11O7
- Average molar mass
- 854.1 g/mol
- Monoisotopic mass
- 853.55379365
Overview
hexapeptide with neurotensin activity
Names & identifiers
- Preferred name
- Methylarginyl-lysyl-prolyl-tryptophyl-tert-leucyl-leucyl-ethyl ester
- IUPAC
- ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoate
- English name
- methylarginyl-lysyl-prolyl-tryptophyl-tert-leucyl-leucyl-ethyl ester
- Molecular formula
- C43H71N11O7
- Molecular weight
- 854.09
Names & synonyms
Malptll125600-60-4Methylarginyl-lysyl-prolyl-tryptophyl-tert-leucyl-leucyl-ethyl ester(Me)Arg-lys-pro-trp-tert-leu-leu-oetH(CH3)-Arg-lys-pro-trp-tert-leu-leu-oet(Methyl)-arginyl-lysyl-prolyl-tryptophyl-tert-leucyl-leucine ethyl esterRefChem:925768EISAI-1NT-1ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoateGTPL1566SCHEMBL29350785
Show more names
L-Leucine, N2-methyl-L-arginyl-L-lysyl-L-prolyl-L-tryptophyl-3-methyl-L-valyl-, ethyl ester
DTXSID20925185Q27077168(2S)-1-{N~2~-[(2S)-5-(Carbamimidoylamino)-1-hydroxy-2-(methylamino)pentylidene]-L-lysyl}-N-[(2S)-1-{[(2S)-1-{[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino}-1-hydroxy-3,3-dimethylbutan-2-yl]imino}-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrrolidine-2-carboximidic acid1-{N~2~-[5-Carbamimidamido-1-hydroxy-2-(methylamino)pentylidene]lysyl}-N-[1-({1-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)imino]-1-hydroxy-3,3-dimethylbutan-2-yl}imino)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrrolidine-2-carboximidic acidethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-methylaminopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoateL-Leucine, N-(3-methyl-N-(N-(1-(N2-(N2-methyl-L-arginyl)-L-lysyl)-L-prolyl)-L-tryptophyl)-L-valyl)-, ethyl ester
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 26
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.20(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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