tert-Butyloxycarbonyl-leucyl-alanyl-leucyl-alanyl-leucyl-tryptophan
Basic information
- CAS
97399-67-2- Standard SMILES
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
HONCSONTYULELN-YLOAKAIZSA-N- Molecular formula
- C40H63N7O9
- Average molar mass
- 786 g/mol
- Monoisotopic mass
- 785.46872661
Names & identifiers
- Preferred name
- tert-Butyloxycarbonyl-leucyl-alanyl-leucyl-alanyl-leucyl-tryptophan
- IUPAC
- (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoic acid
- English name
- (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2- [[(2S)-2-[[(2S)-4-methyl-2-(tert-butoxycarbonylamino)pentanoyl]amino]p ropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propano ic acid
- Molecular formula
- C40H63N7O9
- Molecular weight
- 0
Names & synonyms
Boclalalw97399-67-2Boc-leu-ala-leu-ala-leu-trptert-Butyloxycarbonyl-leucyl-alanyl-leucyl-alanyl-leucyl-tryptophanDTXSID40242927RefChem:188258DTXCID70165418(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido]propanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid(6S,9S,12S,15S,18S,21S)-21-((1H-Indol-3-yl)methyl)-6,12,18-triisobutyl-2,2,9,15-tetramethyl-4,7,10,13,16,19-hexaoxo-3-oxa-5,8,11,14,17,20-hexaazadocosan-22-oic acidN-(tert-Butoxycarbonyl)-L-leucyl-L-alanyl-L-leucyl-L-alanyl-L-leucyl-L-tryptophan(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2- [[(2S)-2-[[(2S)-4-methyl-2-(tert-butoxycarbonylamino)pentanoyl]amino]p ropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propano ic acid(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoic acid
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,370
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Compound notes
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