H-Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val-Leu-Ser-Gly-OH
Basic information
- CAS
317335-37-8- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)O)C(C)C- InChIKey
BUTZZFREPXPCFH-YZVJAGMXSA-N- Molecular formula
- C54H99N15O14S
- Average molar mass
- 1,214.5 g/mol
- Monoisotopic mass
- 1,213.72166406
Names & identifiers
- Preferred name
- H-Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val-Leu-Ser-Gly-OH
- IUPAC
- 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
- English name
- H-CYS-VAL-VAL-ILE-VAL-GLY-ARG-ILE-VAL-LEU-SER-GLY-OH
- Molecular formula
- C54H99N15O14S
- Molecular weight
- 1214.52
Names & synonyms
HCV NS4A PROTEIN (22-33) (FDA STRAIN)CYS-VAL-VAL-ILE-VAL-GLY-ARG-ILE-VAL-LEU-SER-GLYH-CYS-VAL-VAL-ILE-VAL-GLY-ARG-ILE-VAL-LEU-SER-GLY-OH
Database identifiers
- CAS
317335-37-8- PubChem CID
- 131852364
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 469 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 39
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,250
Physicochemical properties
- storage temp.
- -15 °C · -15°C
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Related reactions
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Compound notes
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