Zervamicin IC
Basic information
- CAS
79392-51-1- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@](C)(CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)[N@@+]1(C(CO)Cc2ccccc2)CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)CC- InChIKey
MYEOGZVGTNUYDN-UHFFFAOYSA-N- Molecular formula
- C90H139N18O23+
- Average molar mass
- 1,841.2 g/mol
- Monoisotopic mass
- 1,840.02604775
Names & identifiers
- Preferred name
- Zervamicin IC
- IUPAC
- (4S)-4-[[(2S,3S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[1-[[(2S)-1-[[1-[(2S,4R)-2-[[(2S)-5-amino-1-[[1-[(2S,4R)-2-[[1-[(1R,2S)-2-carbamoyl-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-1-ium-1-yl]-2-methyl-1-oxopropan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
- English name
- zervamicin-IC
- Molecular formula
- C90H139N18O23+
- Molecular weight
- 1840.17
Names & synonyms
Zervamicin ICZervamicin-IC79392-51-1L-Prolinamide, N-acetyl-L-tryptophyl-L-isoleucyl-L-α-glutamyl-D-isovalyl-L-isoleucyl-L-threonyl-2-methylalanyl-L-leucyl-2-methylalanyl-(4R)-4-hydroxy-L-prolyl-L-glutaminyl-2-methylalanyl-(4R)-4-hydroxy-L-prolyl-2-methylalanyl-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
Database identifiers
- CAS
79392-51-1- PubChem CID
- 129010938
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 627 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 47
- Heavy atoms
- 131
- Formal charge
- 1
- Complexity
- 4,120
Physicochemical properties
- Boiling point
- 1973.2 · 1973.2±65.0 °C(predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 4.43 · 4.43±0.10(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…