Basic information
- CAS
737001-70-6- Standard SMILES
CCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)C(C)C)C(N)=O- InChIKey
NGJQVUOJRMLXSR-KIELXSABSA-N- Molecular formula
- C39H59N7O12
- Average molar mass
- 817.9 g/mol
- Monoisotopic mass
- 817.42217034
Names & identifiers
- Preferred name
- L-norvalinamide, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-(4R)-4-(phenylmethoxy)-L-prolyl-
- IUPAC
- (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[(2S)-1-amino-1-oxopentan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
737001-70-6AC1LD8MQAzapeptide-based compound 24BDBM3883CHEMBL3301640DTXSID30349292L-norvalinamide, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-(4R)-4-(phenylmethoxy)-L-prolyl-(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{[(1S)-1-carbamoylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acidL-Norvalinamide, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-(4R)-4-(phenylmethoxy)-L-prolyl- (9CI)N-Acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-(4R)-4-(benzyloxy)-L-prolyl-L-norvalinamide
Database identifiers
- CAS
737001-70-6- PubChem CID
- 644136
- DTXSID
DTXSID30349292- ChEMBL
CHEMBL3301640
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 24
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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