Sodium pepsinostreptin
Basic information
- CAS
60252-35-9- Standard SMILES
CCC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C- InChIKey
HUOUXPWOUNLCOX-UHFFFAOYSA-N- Molecular formula
- C32H59N5O9
- Average molar mass
- 657.8 g/mol
- Monoisotopic mass
- 657.43127848
Names & identifiers
- Preferred name
- Sodium pepsinostreptin
- IUPAC
- 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(propanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
Names & synonyms
Sodium pepsinostreptin60252-35-9NSC 301503NSC30150312,20-Dihydroxy-11,19-diisobutyl-5,8-diisopropyl-16-methyl-3,6,9,14,17-pentaoxo-4,7,10,15,18-pentaazadocosan-22-oic acidSodium pe.psi.nostreptinDTXSID00975668NSC-3015033,6,9,12,14,17,20-Heptahydroxy-16-methyl-11,19-bis(2-methylpropyl)-5,8-di(propan-2-yl)-4,7,10,15,18-pentaazadocosa-3,6,9,14,17-pentaen-22-oic acid3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(propanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoic acid
Database identifiers
- CAS
60252-35-9- PubChem CID
- 431973
- DTXSID
DTXSID00975668
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,020
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Compound notes
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