Basic information
- CAS
198904-00-6- Standard SMILES
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2cncs2)cc1)NC(=O)[C@H](CSC)NC(=O)OC- InChIKey
PYCRTZBKBOHFKD-WYYWQTAUSA-N- Molecular formula
- C34H46N6O7S2
- Average molar mass
- 714.9 g/mol
- Monoisotopic mass
- 714.28694017
Names & identifiers
- Preferred name
- 1-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-S-methylcysteinyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane
- IUPAC
- methyl N-[(2R)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoyl]amino]-4-phenylbutyl]-2-[[4-(1,3-thiazol-5-yl)phenyl]methyl]hydrazinyl]-3-methylsulfanyl-1-oxopropan-2-yl]carbamate
Names & synonyms
198904-00-61-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-S-methylcysteinyl)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-methoxycarbonyl-(L)-S-methylcysteinyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexaneSCHEMBL6048DTXSID60941748(2S,3S)-N-[(2S,3S)-3-Hydroxy-4-(2-[(2R)-1-hydroxy-2-{[hydroxy(methoxy)methylidene]amino}-3-(methylsulfanyl)propylidene]-1-{[4-(1,3-thiazol-5-yl)phenyl]methyl}hydrazin-1-yl)-1-phenylbutan-2-yl]-2-{[hydroxy(methoxy)methylidene]amino}-3-methylpentanimidic acidmethyl n-[(1s,2s)-1-[[(1s,2s)-1-benzyl-2-hydroxy-3-[[[(2r)-2-(methoxycarbonylamino)-3-methylsulfanyl-propanoyl]amino]-[(4-thiazol-5-ylphenyl)methyl]amino]propyl]carbamoyl]-2-methyl-butyl]carbamateN-[3-Hydroxy-4-(2-[1-hydroxy-2-{[hydroxy(methoxy)methylidene]amino}-3-(methylsulfanyl)propylidene]-1-{[4-(1,3-thiazol-5-yl)phenyl]methyl}hydrazinyl)-1-phenylbutan-2-yl]-2-{[hydroxy(methoxy)methylidene]amino}-3-methylpentanimidic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 20
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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