Benzyl 5-amino-4-[[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate
Basic information
- CAS
5633-95-4- Standard SMILES
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O- InChIKey
NJUDVIHCYTUOMY-UHFFFAOYSA-N- Molecular formula
- C29H46N4O7
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.33664982
Names & identifiers
- Preferred name
- Benzyl 5-amino-4-[[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate
- IUPAC
- benzyl 5-amino-4-[[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoate
Names & synonyms
5633-95-4benzyl 5-amino-4-[[3-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoateBenzyl N-(tert-butoxycarbonyl)leucylisoleucyl-alpha-glutaminateUNM000000634401DTXSID90411944AKOS001487960AKOS022000309AG-690/09794013SR-01000492328SR-01000492328-1benzyl 12-(aminocarbonyl)-9-sec-butyl-6-isobutyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazapentadecan-15-oateBENZYL 4-[2-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}-4-METHYLPENTANAMIDO)-3-METHYLPENTANAMIDO]-4-CARBAMOYLBUTANOATE
Database identifiers
- CAS
5633-95-4- PubChem CID
- 5233249
- DTXSID
DTXSID90411944
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 850
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Compound notes
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