Skf 108738
Basic information
- CAS
144285-78-9- Standard SMILES
CCCC(O)CC(=O)N[C@H](C(=O)N[C@H](C(=O)Oc1c(Cc2ccccc2)ccc(C)c1N(C(=O)[C@H](C)N)C(=O)[C@H](C)N)C(C)C)C(C)C- InChIKey
JKNPUMLCTBXCRQ-RPXVPVHRSA-N- Molecular formula
- C36H53N5O7
- Average molar mass
- 667.8 g/mol
- Monoisotopic mass
- 667.39449905
Overview
structure given in first source
Names & identifiers
- Preferred name
- Skf 108738
- IUPAC
- [6-benzyl-2-[bis[(2S)-2-aminopropanoyl]amino]-3-methylphenyl] (2S)-2-[[(2S)-2-(3-hydroxyhexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoate
Names & synonyms
Skf-108738144285-78-9Skf 108738L-Valine, N-(N-(N-(2-((N-L-alanyl-L-alanyl)amino)-1-hydroxy-3-phenylpropyl)-L-phenylalanyl)-L-valyl)-, methyl ester, (S-(R*,R*))-RefChem:183342[6-benzyl-2-[bis[(2S)-2-aminopropanoyl]amino]-3-methylphenyl] (2S)-2-[[(2S)-2-(3-hydroxyhexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoateDTXSID90932285N-[(2S)-1-({(2S)-1-[2-(Amino)-6-benzyl-3-methylphenoxy]-3-methyl-1-oxobutan-2-yl}imino)-1-hydroxy-3-methylbutan-2-yl]-3-hydroxyhexanimidic acidN-[1-({1-[2-(Amino)-6-benzyl-3-methylphenoxy]-3-methyl-1-oxobutan-2-yl}imino)-1-hydroxy-3-methylbutan-2-yl]-3-hydroxyhexanimidic acid
Database identifiers
- CAS
144285-78-9- PubChem CID
- 73194
- DTXSID
DTXSID90932285
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,060
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Compound notes
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