Malevamide D
Basic information
- Standard SMILES
CC[C@H](C)[C@@H](C(=O)N[C@H](C(=O)N(C)[C@@H](C(C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)O[C@H](CO)Cc1ccccc1)OC)C(C)C)N(C)C- InChIKey
LERBYHJLOKXDNI-UUFHNPECSA-N- Molecular formula
- C40H68N4O8
- Average molar mass
- 733 g/mol
- Monoisotopic mass
- 732.50371514
Overview
Malevamide D is a peptide.
Names & identifiers
- Preferred name
- Malevamide D
- IUPAC
- [(2S)-1-hydroxy-3-phenylpropan-2-yl] (2R,3R)-3-[(2S)-1-[(3R,4S)-4-[[(2S)-2-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylhexanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoate
Names & synonyms
Malevamide DDTXSID501046442[(2S)-1-hydroxy-3-phenylpropan-2-yl] (2R,3R)-3-[(2S)-1-[(3R,4S)-4-[[(2S)-2-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylhexanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoate((2S)-1-hydroxy-3-phenylpropan-2-yl) (2R,3R)-3-((2S)-1-((3R,4S)-4-(((2S)-2-(((2S,3S)-2-(dimethylamino)-3-methylpentanoyl)amino)-3-methylbutanoyl)-methylamino)-3-methoxy-5-methylhexanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoateRefChem:155392DTXCID001528265(S)-1-hydroxy-3-phenylpropan-2-yl (2R,3R)-3-((S)-1-((3R,4S)-4-((S)-2-((2S,3S)-2-(dimethylamino)-3-methylpentanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylhexanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoate421595-68-8CHEMBL453182SCHEMBL17866994CHEBI:217810
Database identifiers
- PubChem CID
- 636710
- DTXSID
DTXSID501046442- ChEMBL
CHEMBL453182- ChEBI
CHEBI:217810- Nikkaji
- J1.736.231C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,110
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Related reactions
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Compound notes
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