4-Nitro-tpala-dynorphin
Basic information
- CAS
103614-23-9- Standard SMILES
CCN(C(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC)[C@H](CC(C)C)C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1- InChIKey
DBOTXBIGEHXVCK-BYAJYZPISA-N- Molecular formula
- C50H80N16O11
- Average molar mass
- 1,081.3 g/mol
- Monoisotopic mass
- 1,080.61924743
Names & identifiers
- Preferred name
- 4-Nitro-tpala-dynorphin
- IUPAC
- (2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]-[(2R)-2-[ethyl-[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-1-oxopentan-2-yl]-4-methylpentanamide
- English name
- dynorphin A ethylamide (1-8), N-methyl-Tyr(1)-4-nitro-Phe(4)-N-methyl-Arg(7)-Leu(8)-
- Molecular formula
- C50H80N16O11
- Molecular weight
- 1081.2708
Names & synonyms
4-Nitro-tpala-dynorphin103614-23-9Dynorphin A ethylamide (1-8), N-methyl-tyr(1)-4-nitro-phe(4)-N-methyl-arg(7)-leu(8)-DTXSID10145951(N-Methyl-tyr(1)-phe(4)(p-No2)-N-methyl-D-arg(7)-leu(8))dynorphin A ethylamide(1-8)Dynorphin A ethylamide (1-8), N-methyl-tyrosyl(1)-4-nitrophenylalanyl(4)-N-methyl-arginyl(7)-leucyl(8)-RefChem:912715DTXCID0068442(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]-[(2R)-2-[ethyl-[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-1-oxopentan-2-yl]-4-methylpentanamideD-Leucinamide, N-methyl-L-tyrosylslycylglycyl-4-nitro-L-phenylalanyl-L-leucyl-L-arginyl-N2-methyl-L-arginyl-N-ethyl-N-Methyl-L-tyrosylglycylglycyl-N-[(2S)-5-[(diaminomethylidene)amino]-2-(methylamino)pentanoyl]-N-{(2S)-5-[(diaminomethylidene)amino]-2-[(4-nitro-L-phenylalanyl-L-leucyl)amino]pentanoyl}-N~2~-ethyl-D-leucinamide
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 436 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 32
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 2,000
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