2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide

C59H80N10O23 — CID 159154268

About 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide

2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide (PubChem CID 159154268) has the molecular formula C59H80N10O23 and a molecular weight of 1297.34 g/mol. Its IUPAC name is 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide.

Molecular Properties

• Compound Name: 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide
• PubChem CID: 159154268
• Molecular Formula: C59H80N10O23
• Molecular Weight: 1297.34 g/mol
• Exact Mass: 1296.54
• IUPAC Name: 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide
• SMILES: C/C(Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1)=N\C(CCC(N)=O)C(=O)NC(CCC(N)=O)C(N)=O.C=C(N)CCC(NC(=O)C(CCC(N)=O)/N=C(\C)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1)C(N)=O
• InChI: InChI=1S/C30H41N5O11.C29H39N5O12/c1-12-8-18(37)23(28-26(42)25(41)24(40)20(11-36)46-28)27-22(12)19(38)10-15(45-27)9-14(3)34-17(6-7-21(32)39)30(44)35-16(29(33)43)5-4-13(2)31;1-11-7-16(36)22(27-25(42)24(41)23(40)18(10-35)46-27)26-21(11)17(37)9-13(45-26)8-12(2)33-15(4-6-20(31)39)29(44)34-14(28(32)43)3-5-19(30)38/h8,10,16-17,20,24-26,28,36-37,40-42H,2,4-7,9,11,31H2,1,3H3,(H2,32,39)(H2,33,43)(H,35,44);7,9,14-15,18,23-25,27,35-36,40-42H,3-6,8,10H2,1-2H3,(H2,30,38)(H2,31,39)(H2,32,43)(H,34,44)/b34-14+;33-12+
• InChIKey: KJRPAKSFKZNAAY-AERMHTNNSA-N
• XLogP: -4.62
• TPSA: 605.57 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.34
LogP ≤ 5	-4.62
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide?

The IUPAC name of 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide (CID 159154268) is 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide.

What is the SMILES notation for 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide?

The canonical SMILES for 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide is C/C(Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1)=N\C(CCC(N)=O)C(=O)NC(CCC(N)=O)C(N)=O.C=C(N)CCC(NC(=O)C(CCC(N)=O)/N=C(\C)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1)C(N)=O.

What is the InChIKey of 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide?

The InChIKey is KJRPAKSFKZNAAY-AERMHTNNSA-N. The full InChI is InChI=1S/C30H41N5O11.C29H39N5O12/c1-12-8-18(37)23(28-26(42)25(41)24(40)20(11-36)46-28)27-22(12)19(38)10-15(45-27)9-14(3)34-17(6-7-21(32)39)30(44)35-16(29(33)43)5-4-13(2)31;1-11-7-16(36)22(27-25(42)24(41)23(40)18(10-35)46-27)26-21(11)17(37)9-13(45-26)8-12(2)33-15(4-6-20(31)39)29(44)34-14(28(32)43)3-5-19(30)38/h8,10,16-17,20,24-26,28,36-37,40-42H,2,4-7,9,11,31H2,1,3H3,(H2,32,39)(H2,33,43)(H,35,44);7,9,14-15,18,23-25,27,35-36,40-42H,3-6,8,10H2,1-2H3,(H2,30,38)(H2,31,39)(H2,32,43)(H,34,44)/b34-14+;33-12+.

What are the key properties of 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide?

2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide has a molecular weight of 1297.34 g/mol, XLogP of -4.62, 28 rotatable bonds, 18 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide is sourced from PubChem (CID 159154268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).