6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide

C66H119N25O11 — CID 123493209

About 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide

6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide (PubChem CID 123493209) has the molecular formula C66H119N25O11 and a molecular weight of 1438.84 g/mol. Its IUPAC name is 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide.

Molecular Properties

• Compound Name: 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
• PubChem CID: 123493209
• Molecular Formula: C66H119N25O11
• Molecular Weight: 1438.84 g/mol
• Exact Mass: 1437.95
• IUPAC Name: 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
• SMILES: C=c1c(C)c(C)c(=C)c2c(O)n(CC(=O)NCCCCCCNC(CCCN=C(N)N)C(=O)NCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)NC(C)CNC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(N)=O)c(O)c12
• InChI: InChI=1S/C66H119N25O11/c1-38(36-84-47(25-20-34-82-65(73)74)58(98)86-44(7)56(96)90-49(26-21-35-83-66(75)76)60(100)87-43(6)55(95)89-45(54(68)94)22-12-14-28-67)85-59(99)48(23-13-18-32-80-63(69)70)88-50(92)27-11-10-17-31-79-57(97)46(24-19-33-81-64(71)72)77-29-15-8-9-16-30-78-51(93)37-91-61(101)52-41(4)39(2)40(3)42(5)53(52)62(91)102/h38,43-49,77,84,101-102H,4-5,8-37,67H2,1-3,6-7H3,(H2,68,94)(H,78,93)(H,79,97)(H,85,99)(H,86,98)(H,87,100)(H,88,92)(H,89,95)(H,90,96)(H4,69,70,80)(H4,71,72,81)(H4,73,74,82)(H4,75,76,83)
• InChIKey: DXVMAANNZHHFAO-UHFFFAOYSA-N
• XLogP: -5.05
• TPSA: 628.96 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 19
• Rotatable Bonds: 53
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.84
LogP ≤ 5	-5.05
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?

The IUPAC name of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide (CID 123493209) is 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide.

What is the SMILES notation for 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?

The canonical SMILES for 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide is C=c1c(C)c(C)c(=C)c2c(O)n(CC(=O)NCCCCCCNC(CCCN=C(N)N)C(=O)NCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)NC(C)CNC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(N)=O)c(O)c12.

What is the InChIKey of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?

The InChIKey is DXVMAANNZHHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H119N25O11/c1-38(36-84-47(25-20-34-82-65(73)74)58(98)86-44(7)56(96)90-49(26-21-35-83-66(75)76)60(100)87-43(6)55(95)89-45(54(68)94)22-12-14-28-67)85-59(99)48(23-13-18-32-80-63(69)70)88-50(92)27-11-10-17-31-79-57(97)46(24-19-33-81-64(71)72)77-29-15-8-9-16-30-78-51(93)37-91-61(101)52-41(4)39(2)40(3)42(5)53(52)62(91)102/h38,43-49,77,84,101-102H,4-5,8-37,67H2,1-3,6-7H3,(H2,68,94)(H,78,93)(H,79,97)(H,85,99)(H,86,98)(H,87,100)(H,88,92)(H,89,95)(H,90,96)(H4,69,70,80)(H4,71,72,81)(H4,73,74,82)(H4,75,76,83).

What are the key properties of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?

6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide has a molecular weight of 1438.84 g/mol, XLogP of -5.05, 53 rotatable bonds, 22 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[6-(diaminomethylideneamino)-2-[6-[[5-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexylamino]pentanoyl]amino]hexanoylamino]hexanoyl]amino]propylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide is sourced from PubChem (CID 123493209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).