Basic information
- Standard SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccc(-c2nccs2)cc1)C(C)C- InChIKey
YWZVYCRTWWEMTR-HJOGWXRNSA-N- Molecular formula
- C27H35N5O4S
- Average molar mass
- 525.7 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino6-phenyl-2-azahexane
- IUPAC
- methyl N-[(2S)-1-[[(2S,3S)-4-[amino-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL6455YWZVYCRTWWEMTR-HJOGWXRNSA-N1-[4-(thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5 (S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane1-[4-(thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino6-phenyl-2-azahexane
Database identifiers
- PubChem CID
- 10697413
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 700
Related reactions
18 records
Compound notes
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