Basic information
- Standard SMILES
CCOC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cncs2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)C(C)C- InChIKey
XHZYIPUWFQPXLB-OZBSPJRCSA-N- Molecular formula
- C36H50N6O7S
- Average molar mass
- 710.9 g/mol
Names & identifiers
- Preferred name
- methyl N-[(1S,2S)-1-[[(1S,2S)-1-benzyl-3-[[[(2S)-2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-[(4-thiazol-5-ylphenyl)methyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamate
- IUPAC
- methyl N-[(2S,3S)-1-[[(2S,3S)-4-[[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-5-yl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
SCHEMBL6229XHZYIPUWFQPXLB-OZBSPJRCSA-N1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbony-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2N-(N-ethoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexanemethyl N-[(1S,2S)-1-[[(1S,2S)-1-benzyl-3-[[[(2S)-2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-[(4-thiazol-5-ylphenyl)methyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamate
Database identifiers
- PubChem CID
- 467959
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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