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

C66H115N25O13 — CID 123723425

IUPAC6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
SMILESC=c1c(C)c(C)c(=C)c2c(O)n(CC(=O)NCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)NCCCCCC(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(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
InChIInChI=1S/C66H115N25O13/c1-36-37(2)39(4)52-51(38(36)3)61(103)91(62(52)104)35-50(94)77-29-15-8-10-26-48(92)86-44(22-13-17-31-79-63(69)70)57(99)78-30-16-9-11-27-49(93)87-45(23-18-32-80-64(71)72)58(100)83-41(6)55(97)89-47(25-20-34-82-66(75)76)60(102)85-42(7)56(98)90-46(24-19-33-81-65(73)74)59(101)84-40(5)54(96)88-43(53(68)95)21-12-14-28-67/h40-47,103-104H,3-4,8-35,67H2,1-2,5-7H3,(H2,68,95)(H,77,94)(H,78,99)(H,83,100)(H,84,101)(H,85,102)(H,86,92)(H,87,93)(H,88,96)(H,89,97)(H,90,98)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)
InChIKeyZRGIMYMELAEZBW-UHFFFAOYSA-N
MW1466.81 g/mol
LogP-6.00
Rot. Bonds51

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

6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide (PubChem CID 123723425) has the molecular formula C66H115N25O13 and a molecular weight of 1466.81 g/mol. Its IUPAC name is 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide.

Molecular Properties

Compound Name6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
PubChem CID123723425
Molecular FormulaC66H115N25O13
Molecular Weight1466.81 g/mol
Exact Mass1465.91
IUPAC Name6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide
SMILESC=c1c(C)c(C)c(=C)c2c(O)n(CC(=O)NCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)NCCCCCC(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(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
InChIInChI=1S/C66H115N25O13/c1-36-37(2)39(4)52-51(38(36)3)61(103)91(62(52)104)35-50(94)77-29-15-8-10-26-48(92)86-44(22-13-17-31-79-63(69)70)57(99)78-30-16-9-11-27-49(93)87-45(23-18-32-80-64(71)72)58(100)83-41(6)55(97)89-47(25-20-34-82-66(75)76)60(102)85-42(7)56(98)90-46(24-19-33-81-65(73)74)59(101)84-40(5)54(96)88-43(53(68)95)21-12-14-28-67/h40-47,103-104H,3-4,8-35,67H2,1-2,5-7H3,(H2,68,95)(H,77,94)(H,78,99)(H,83,100)(H,84,101)(H,85,102)(H,86,92)(H,87,93)(H,88,96)(H,89,97)(H,90,98)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)
InChIKeyZRGIMYMELAEZBW-UHFFFAOYSA-N
XLogP-6.00
TPSA663.10 Ų
H-Bond Donors22
H-Bond Acceptors19
Rotatable Bonds51
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001466.81
LogP ≤ 5-6.00
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1019

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'}

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

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Related Compounds

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
3-[3-(3-Ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123978092

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?
The IUPAC name of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide (CID 123723425) is 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]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-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?
The canonical SMILES for 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide is C=c1c(C)c(C)c(=C)c2c(O)n(CC(=O)NCCCCCC(=O)NC(CCCCN=C(N)N)C(=O)NCCCCCC(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(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-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?
The InChIKey is ZRGIMYMELAEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H115N25O13/c1-36-37(2)39(4)52-51(38(36)3)61(103)91(62(52)104)35-50(94)77-29-15-8-10-26-48(92)86-44(22-13-17-31-79-63(69)70)57(99)78-30-16-9-11-27-49(93)87-45(23-18-32-80-64(71)72)58(100)83-41(6)55(97)89-47(25-20-34-82-66(75)76)60(102)85-42(7)56(98)90-46(24-19-33-81-65(73)74)59(101)84-40(5)54(96)88-43(53(68)95)21-12-14-28-67/h40-47,103-104H,3-4,8-35,67H2,1-2,5-7H3,(H2,68,95)(H,77,94)(H,78,99)(H,83,100)(H,84,101)(H,85,102)(H,86,92)(H,87,93)(H,88,96)(H,89,97)(H,90,98)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82).
What are the key properties of 6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide?
6-amino-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[2-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide has a molecular weight of 1466.81 g/mol, XLogP of -6.00, 51 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-[[5-(diaminomethylideneamino)-2-[6-[[6-(diaminomethylideneamino)-2-[6-[[2-(1,3-dihydroxy-5,6-dimethyl-4,7-dimethylideneisoindol-2-yl)acetyl]amino]hexanoylamino]hexanoyl]amino]hexanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]pentanoyl]amino]propanoylamino]hexanamide is sourced from PubChem (CID 123723425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).