Basic information
- Standard SMILES
C=CCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)OCc1ccccc1- InChIKey
INLLNXVIKFYIHP-ZHQXHGAJSA-N- Molecular formula
- C63H81N7O14S
- Average molar mass
- 1,192.4 g/mol
- Monoisotopic mass
- 1,191.55622146
Names & identifiers
- Preferred name
- Fmoc-Glu(OBut)-Arg(Pmc)-Val-Asp(Allyl)-OBzl
- IUPAC
- 1-O-benzyl 4-O-prop-2-enyl (2S)-2-[[(2S)-2-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]butanedioate
Names & synonyms
INLLNXVIKFYIHP-ZHQXHGAJSA-NFmoc-Glu(OBut)-Arg(Pmc)-Val-Asp(Allyl)-OBzlFmoc-Glu(OBut)-Arg(Pmc)-Val-Asp(OAllyl)-OBzl
Database identifiers
- PubChem CID
- 131723906
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 307 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 32
- Heavy atoms
- 85
- Formal charge
- 0
- Complexity
- 2,420
Related reactions
2 records
Compound notes
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