(6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

C30H48N6O6 — CID 155607749

About (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

(6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (PubChem CID 155607749) has the molecular formula C30H48N6O6 and a molecular weight of 588.75 g/mol. Its IUPAC name is (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

Molecular Properties

• Compound Name: (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
• PubChem CID: 155607749
• Molecular Formula: C30H48N6O6
• Molecular Weight: 588.75 g/mol
• Exact Mass: 588.36
• IUPAC Name: (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
• SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)C[C@@H](CCCN=C(N)N)C(=O)CCCN)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO
• InChI: InChI=1S/C30H48N6O6/c1-19(2)16-24-23(29(40)36-41)7-5-15-42-22-11-9-20(10-12-22)17-25(35-28(24)39)27(38)18-21(26(37)8-3-13-31)6-4-14-34-30(32)33/h9-12,19,21,23-25,41H,3-8,13-18,31H2,1-2H3,(H,35,39)(H,36,40)(H4,32,33,34)/t21-,23+,24-,25+/m1/s1
• InChIKey: KGPKQONOINPEAU-WUEDSLEZSA-N
• XLogP: 1.61
• TPSA: 212.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.75
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The IUPAC name of (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (CID 155607749) is (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

What is the SMILES notation for (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The canonical SMILES for (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is CC(C)C[C@H]1C(=O)N[C@H](C(=O)C[C@@H](CCCN=C(N)N)C(=O)CCCN)Cc2ccc(cc2)OCCC[C@@H]1C(=O)NO.

What is the InChIKey of (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The InChIKey is KGPKQONOINPEAU-WUEDSLEZSA-N. The full InChI is InChI=1S/C30H48N6O6/c1-19(2)16-24-23(29(40)36-41)7-5-15-42-22-11-9-20(10-12-22)17-25(35-28(24)39)27(38)18-21(26(37)8-3-13-31)6-4-14-34-30(32)33/h9-12,19,21,23-25,41H,3-8,13-18,31H2,1-2H3,(H,35,39)(H,36,40)(H4,32,33,34)/t21-,23+,24-,25+/m1/s1.

What are the key properties of (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

(6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide has a molecular weight of 588.75 g/mol, XLogP of 1.61, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7R,10S)-10-[(3R)-7-amino-3-[3-(diaminomethylideneamino)propyl]-4-oxoheptanoyl]-N-hydroxy-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is sourced from PubChem (CID 155607749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).