Enviomycin

C₂₅H₄₃N₁₃O₁₀ — CID 25202236

About Enviomycin

Enviomycin (PubChem CID 25202236) has the molecular formula C₂₅H₄₃N₁₃O₁₀ and a molecular weight of 685.70 g/mol. Its IUPAC name is (3R,4R)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide.

Molecular Properties

• Compound Name: Enviomycin
• PubChem CID: 25202236
• Molecular Formula: C₂₅H₄₃N₁₃O₁₀
• Molecular Weight: 685.70 g/mol
• Exact Mass: 685.33
• IUPAC Name: (3R,4R)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
• SMILES: NCC[C@@H](O)[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
• InChI: InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/t10-,11-,12+,14+,15+,16-,18+/m1/s1
• InChIKey: HPWIIERXAFODPP-MYIPQGGFSA-N
• XLogP: -9.23
• TPSA: 392.86 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	685.70
LogP ≤ 5	-9.23
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Enviomycin?

The IUPAC name of Enviomycin (CID 25202236) is (3R,4R)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide.

What is the SMILES notation for Enviomycin?

The canonical SMILES for Enviomycin is NCC[C@@H](O)[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.

What is the InChIKey of Enviomycin?

The InChIKey is HPWIIERXAFODPP-MYIPQGGFSA-N. The full InChI is InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/t10-,11-,12+,14+,15+,16-,18+/m1/s1.

What are the key properties of Enviomycin?

Enviomycin has a molecular weight of 685.70 g/mol, XLogP of -9.23, 10 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Enviomycin is sourced from PubChem (CID 25202236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25202236 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3180 — approved-drug record (CC BY-SA 4.0)

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