Basic information
- CAS
165315-34-4- Standard SMILES
CC(C)Cc1nc(CCN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
SRYHFGUULZPYMU-OMPCMIHXSA-N- Molecular formula
- C39H52N6O5S2
- Average molar mass
- 749 g/mol
- Monoisotopic mass
- 748.34406113
Names & identifiers
- Preferred name
- 2,7,10,12-Tetraazatetradecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Names & synonyms
165315-34-42,7,10,12-Tetraazatetradecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-2,7,10,12-Tetraazatetradecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-14-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,4R*,6R*,9R*)]-DTXSID40167929N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-N~2~-(methyl{2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethyl}carbamoyl)-L-valinamidethiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[2-(2-isobutylthiazol-4-yl)ethyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
Database identifiers
- CAS
165315-34-4- PubChem CID
- 482964
- DTXSID
DTXSID40167929
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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