Unii-3uxx6YK4M5
Basic information
- CAS
1449675-83-5- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O- InChIKey
YNSFZXXVTJLFNN-FXSLXDFDSA-N- Molecular formula
- C94H134N24O21
- Average molar mass
- 1,936.2 g/mol
- Monoisotopic mass
- 1,935.01553738
Names & identifiers
- Preferred name
- Unii-3uxx6YK4M5
- IUPAC
- (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
Names & synonyms
Survivin (13-27)UNII-3UXX6YK4M53UXX6YK4M5Pepmix-human (survivin) component survivin 13-271449675-83-5L-Phenylalanyl-L-leucyl-L-lysyl-L-alpha-aspartyl-L-histidyl-L-arginyl-L-isoleucyl-L-seryl-L-threonyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-tryptophyl-L-prolyl-L-phenylalanine (
Database identifiers
- CAS
1449675-83-5- PubChem CID
- 164512972
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 741 Ų
- Hydrogen bond donors
- 26
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 61
- Heavy atoms
- 139
- Formal charge
- 0
- Complexity
- 4,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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