H-Trp-Lys-Ile-Tyr-Ser-Tyr-Ala-Gly-OH
Basic information
- CAS
267423-25-6- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)O- InChIKey
RFHWGUFJUZWSSU-IVAUIPPSSA-N- Molecular formula
- C49H66N10O12
- Average molar mass
- 987.1 g/mol
- Monoisotopic mass
- 986.48616758
Names & identifiers
- Preferred name
- H-Trp-Lys-Ile-Tyr-Ser-Tyr-Ala-Gly-OH
- IUPAC
- 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
Names & synonyms
CTK0I5951267423-25-6DTXSID30431787L-Tryptophyl-L-lysyl-L-isoleucyl-L-tyrosyl-L-seryl-L-tyrosyl-L-alanylglycine
Database identifiers
- CAS
267423-25-6- PubChem CID
- 9854594
- DTXSID
DTXSID30431787
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 370 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 28
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,760
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Compound notes
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