Rohdei-litorin
Basic information
- CAS
96563-00-7- Standard SMILES
CCC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(N)=O)[C@@H](C)O- InChIKey
WBMBGZOCXYQOEK-HDSBFRQTSA-N- Molecular formula
- C51H69N13O11S
- Average molar mass
- 1,072.2 g/mol
- Monoisotopic mass
- 1,071.49602124
Overview
Rohdei-litorin has been reported in Pithecopus rohdei with data available.
Names & identifiers
- Preferred name
- Rohdei-litorin
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
- English name
- Rohdei-litorin
- Molecular formula
- C51H69N13O11S
- Molecular weight
- 1072.24
Names & synonyms
Rohdei-litorin96563-00-7Pglu-leu-trp-ala-thr-gly-his-phe-met-NH2Ranatensin, 2-L-leucine-3-de-L-proline-4-de-L-glutamine-7-L-threonine-Pyroglutamyl-leucyl-tryptophyl-alanyl-threonyl-glycyl-histidyl-phenylalanyl-methioninamideRefChem:179777(2S)-N-((2S)-1-(((2S)-1-(((2S)-1-(((2S,3R)-1-((2-(((2S)-1-(((2S)-1-(((2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-2-oxoethyl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)-5-oxopyrrolidine-2-carboxamide
Database identifiers
- CAS
96563-00-7- PubChem CID
- 5486984
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 395 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 29
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 2,030
Physicochemical properties
- Boiling point
- 1628.761 · 1628.761±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.159 · 13.159±0.46(predicted)
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Compound notes
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