Basic information
- CAS
162739-26-6- Standard SMILES
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)co1- InChIKey
CPHYYBIFGVJFHB-CHQNGUEUSA-N- Molecular formula
- C36H52N6O6
- Average molar mass
- 664.8 g/mol
- Monoisotopic mass
- 664.3948334
Names & identifiers
- Preferred name
- 5S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexane
- IUPAC
- tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]amino]carbamate
Names & synonyms
162739-26-65S-N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-valinylamino-2-N-(t-butyloxycarbonyl)amino-4S-hydroxy-1,6-diphenyl-2-azahexaneDTXSID20936736(2S)-N-[(2S,3S)-4-{1-Benzyl-2-[tert-butoxy(hydroxy)methylidene]hydrazin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amino)methylidene]amino}-3-methylbutanimidic acid(5S,6S,9S)-tert-Butyl 3,6-dibenzyl-5-hydroxy-9-isopropyl-13-(2-isopropyloxazol-4-yl)-12-methyl-8,11-dioxo-2,3,7,10,12-pentaazatridecan-1-oateN-(4-{1-Benzyl-2-[tert-butoxy(hydroxy)methylidene]hydrazinyl}-3-hydroxy-1-phenylbutan-2-yl)-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amino)methylidene]amino}-3-methylbutanimidic acidtert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2-isopropyloxazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butyl]amino]carbamate
Database identifiers
- CAS
162739-26-6- PubChem CID
- 475583
- DTXSID
DTXSID20936736
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 994
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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