Basic information
- Standard SMILES
COC(=O)N[C@H](C(=O)NN(CC1CCCCC1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C- InChIKey
VUMKXPNJDITTGF-SUGCFTRWSA-N- Molecular formula
- C38H51N7O7
- Average molar mass
- 717.9 g/mol
Names & identifiers
- Preferred name
- methyl N-[(1S)-1-[[[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-(cyclohexylmethyl)amino]carbamoyl]-2-methyl-propyl]carbamate
- IUPAC
- methyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-(cyclohexylmethyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
BDBM206SCHEMBL6442770VUMKXPNJDITTGF-SUGCFTRWSA-N1-[2(S)-Hydroxy-3(S)-(N-(quinoline-2-carbonyl)-(L)-asparaginyl)amino-4-phenyl-butyl]-1-[cyclohexylmethyl]-2-[N-methoxycarbonyl-(L)-valyl]-hydrazine1-Cyclohexyl-2-[[N-(methoxycarbonyl)-L-valinyl]amino]-4(S)-hydroxy-5(S)-[[N-(quinolin-2-ylcarbonyl)-L-asparaginyl]amino]-6-phenyl-2-azahexane1-Cyclohexyl-2-N-[[(methoxycarbonyl)-L-valinyl]amino]-4(S)-hydroxy-5(S)-[[N-(quinolin-2-ylcarbonyl)-L-asparaginyl]amino]-6-phenyl-2-azahexanemethyl N-[(1S)-1-[[[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-(cyclohexylmethyl)amino]carbamoyl]-2-methyl-propyl]carbamatemethyl N-[(1S)-1-[N''-(cyclohexylmethyl)-N''-[(2S,3S)-2-hydroxy-4-phenyl-3-[(2S)-2-(quinolin-2-ylformamido)butanediamido]butyl]hydrazinecarbonyl]-2-methylpropyl]carbamate
Database identifiers
- PubChem CID
- 461985
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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