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Basic information
- CAS
198904-17-5- Standard SMILES
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C- InChIKey
WOFNTIUAXZCHIM-BIIKVYKSSA-N- Molecular formula
- C43H59N9O7
- Average molar mass
- 814 g/mol
- Monoisotopic mass
- 813.45374523
Names & identifiers
- Preferred name
- 1-(4-(2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane
- IUPAC
- methyl N-[(2S,3S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[[4-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
198904-17-51-(4-(2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane1-[4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexaneSCHEMBL6156972DTXSID80173665WOFNTIUAXZCHIM-BIIKVYKSSA-N1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexaneMethyl [(5S,8S,9S,14S)-8-benzyl-5-[(2S)-butan-2-yl]-9-hydroxy-15,15-dimethyl-3,6,13-trioxo-11-({4-[2-(2-phenylpropan-2-yl)-2H-tetrazol-5-yl]phenyl}methyl)-2-oxa-4,7,11,12-tetraazahexadecan-14-yl]carbamatemethyl N-[(1S,2S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[[4-[2-(1-methyl-1-phenyl-ethyl)tetrazol-5-yl]phenyl]methyl]amino]propyl]carbamoyl]-2-methyl-butyl]carbamate
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 21
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
5 records
Compound notes
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