Basic information
- Standard SMILES
CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)[C@@H](O)[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H]2CCC(=O)OC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2)[C@@H](C)O)[C@@H](C)O- InChIKey
XALWEAUOGIUOSS-JTOVNIPUSA-N- Molecular formula
- C75H100N18O25
- Average molar mass
- 1,653.7 g/mol
- Monoisotopic mass
- 1,652.71070075
Names & identifiers
- Preferred name
- Microviridin SD1652
- IUPAC
- (2S)-2-[[(1S,4S,10R,13S,20S,21S,24R,27S,30S)-13-[[(2S)-2-[[(3R)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-30-(carboxymethyl)-20-hydroxy-10-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-3,9,12,19,23,26,29,32,35-nonaoxo-34-oxa-2,8,11,18,22,25,28,31-octazatricyclo[22.8.5.04,8]heptatriacontane-21-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Names & synonyms
Microviridin SD1652
Database identifiers
- PubChem CID
- 155802408
- DTXSID
DTXSID501334792
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 678 Ų
- Hydrogen bond donors
- 24
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 27
- Heavy atoms
- 118
- Formal charge
- 0
- Complexity
- 3,600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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