6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide

C37H59N5O15 — CID 134250495

About 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide

6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide (PubChem CID 134250495) has the molecular formula C37H59N5O15 and a molecular weight of 813.90 g/mol. Its IUPAC name is 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide.

Molecular Properties

• Compound Name: 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide
• PubChem CID: 134250495
• Molecular Formula: C37H59N5O15
• Molecular Weight: 813.90 g/mol
• Exact Mass: 813.40
• IUPAC Name: 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide
• SMILES: C[C@@H]1O[C@@H](OCCNC(=O)CCN(CCC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)CCCCC(=O)NN[C@H](C=O)Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C37H59N5O15/c1-22-30(48)32(50)34(52)36(56-22)54-18-14-38-26(44)12-16-42(17-13-27(45)39-15-19-55-37-35(53)33(51)31(49)23(2)57-37)29(47)11-7-6-10-28(46)41-40-25(21-43)20-24-8-4-3-5-9-24/h3-5,8-9,21-23,25,30-37,40,48-53H,6-7,10-20H2,1-2H3,(H,38,44)(H,39,45)(H,41,46)/t22-,23-,25-,30+,31+,32+,33+,34-,35-,36+,37+/m0/s1
• InChIKey: RHJJGYUYXLMNOZ-FNWYNVLLSA-N
• XLogP: -3.49
• TPSA: 295.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	813.90
LogP ≤ 5	-3.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide?

The IUPAC name of 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide (CID 134250495) is 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide.

What is the SMILES notation for 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide?

The canonical SMILES for 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide is C[C@@H]1O[C@@H](OCCNC(=O)CCN(CCC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)CCCCC(=O)NN[C@H](C=O)Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide?

The InChIKey is RHJJGYUYXLMNOZ-FNWYNVLLSA-N. The full InChI is InChI=1S/C37H59N5O15/c1-22-30(48)32(50)34(52)36(56-22)54-18-14-38-26(44)12-16-42(17-13-27(45)39-15-19-55-37-35(53)33(51)31(49)23(2)57-37)29(47)11-7-6-10-28(46)41-40-25(21-43)20-24-8-4-3-5-9-24/h3-5,8-9,21-23,25,30-37,40,48-53H,6-7,10-20H2,1-2H3,(H,38,44)(H,39,45)(H,41,46)/t22-,23-,25-,30+,31+,32+,33+,34-,35-,36+,37+/m0/s1.

What are the key properties of 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide?

6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide has a molecular weight of 813.90 g/mol, XLogP of -3.49, 24 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-6-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-N,N-bis[3-oxo-3-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]propyl]hexanamide is sourced from PubChem (CID 134250495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).