Basic information
- Standard SMILES
COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
BXGALXNBJGDCHK-UHFFFAOYSA-N- Molecular formula
- C41H54N4O9
- Average molar mass
- 746.9 g/mol
- Monoisotopic mass
- 746.38907931
Names & identifiers
- Preferred name
- Methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate
- IUPAC
- methyl 4-methyl-2-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]pentanoate
Names & synonyms
NSC668898CHEMBL1995287NSC-668898NCI60_024025methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoateMethyl 9-(4-(benzyloxy)benzyl)-6-((benzyloxy)methyl)-15-isobutyl-2,2,12-trimethyl-4,7,10,13-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-oate
Database identifiers
- PubChem CID
- 381826
- ChEMBL
CHEMBL1995287
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
2 records
Compound notes
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