methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
Basic information
- CAS
55878-81-4- Standard SMILES
COC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C- InChIKey
XWDOHABSDMDMQB-UHFFFAOYSA-N- Molecular formula
- C22H31N3O5
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.2263711
Names & identifiers
- Preferred name
- methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
- IUPAC
- methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
Names & synonyms
55878-81-4methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoateCID 429677methyl N-(tert-butoxycarbonyl)tryptophylvalinateNSC262679ChemDiv1_000389HMS588B15DTXSID50330465MFCD00619163AKOS001663822AKOS022000146NSC-262679
Show more names
METHYL 2-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(1H-INDOL-3-YL)PROPANAMIDO)-3-METHYLBUTANOATE
Database identifiers
- CAS
55878-81-4- PubChem CID
- 429677
- DTXSID
DTXSID50330465
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
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Related reactions
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Compound notes
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