(5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

C32H38Br4N10O8 — CID 10772365

About (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

(5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (PubChem CID 10772365) has the molecular formula C32H38Br4N10O8 and a molecular weight of 1010.33 g/mol. Its IUPAC name is (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.

Molecular Properties

• Compound Name: (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
• PubChem CID: 10772365
• Molecular Formula: C32H38Br4N10O8
• Molecular Weight: 1010.33 g/mol
• Exact Mass: 1005.96
• IUPAC Name: (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
• SMILES: COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCC1=C(C(CCNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)c3cnc(N)[nH]3)NC(N)N1)=NO2
• InChI: InChI=1S/C32H38Br4N10O8/c1-51-23-14(33)8-31(25(47)20(23)35)10-17(45-53-31)27(49)39-6-3-4-16-22(44-30(38)42-16)13(19-12-41-29(37)43-19)5-7-40-28(50)18-11-32(54-46-18)9-15(34)24(52-2)21(36)26(32)48/h8-9,12-13,25-26,30,42,44,47-48H,3-7,10-11,38H2,1-2H3,(H,39,49)(H,40,50)(H3,37,41,43)/t13?,25-,26-,30?,31+,32+/m0/s1
• InChIKey: BGNATTMPQJUBCR-UCTKUOSLSA-N
• XLogP: 1.97
• TPSA: 265.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.33
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

The IUPAC name of (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (CID 10772365) is (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.

What is the SMILES notation for (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

The canonical SMILES for (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCC1=C(C(CCNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)c3cnc(N)[nH]3)NC(N)N1)=NO2.

What is the InChIKey of (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

The InChIKey is BGNATTMPQJUBCR-UCTKUOSLSA-N. The full InChI is InChI=1S/C32H38Br4N10O8/c1-51-23-14(33)8-31(25(47)20(23)35)10-17(45-53-31)27(49)39-6-3-4-16-22(44-30(38)42-16)13(19-12-41-29(37)43-19)5-7-40-28(50)18-11-32(54-46-18)9-15(34)24(52-2)21(36)26(32)48/h8-9,12-13,25-26,30,42,44,47-48H,3-7,10-11,38H2,1-2H3,(H,39,49)(H,40,50)(H3,37,41,43)/t13?,25-,26-,30?,31+,32+/m0/s1.

What are the key properties of (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

(5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide has a molecular weight of 1010.33 g/mol, XLogP of 1.97, 13 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6R)-N-[3-[2-amino-5-[1-(2-amino-1H-imidazol-5-yl)-3-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propyl]-2,3-dihydro-1H-imidazol-4-yl]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is sourced from PubChem (CID 10772365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).