2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide

C93H192N30O15 — CID 161482186

About 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide

2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide (PubChem CID 161482186) has the molecular formula C93H192N30O15 and a molecular weight of 1970.75 g/mol. Its IUPAC name is 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide.

Molecular Properties

• Compound Name: 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide
• PubChem CID: 161482186
• Molecular Formula: C93H192N30O15
• Molecular Weight: 1970.75 g/mol
• Exact Mass: 1969.52
• IUPAC Name: 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide
• SMILES: CC(=O)C(CCCCNC(=O)C(CCCCN)NC(=O)C(N)CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)CCCCN.CC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN)NC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN.CC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN
• InChI: InChI=1S/C43H88N14O7.C31H64N10O5.C19H40N6O3/c1-30(58)35(55-43(64)37(57-41(62)34(51)19-5-12-26-47)22-8-15-28-53-39(60)32(49)17-3-10-24-45)20-6-13-29-54-42(63)36(56-40(61)33(50)18-4-11-25-46)21-7-14-27-52-38(59)31(48)16-2-9-23-44;1-22(42)25(39-31(46)27(16-5-10-20-35)41-29(44)24(37)13-3-8-18-33)14-6-11-21-38-30(45)26(15-4-9-19-34)40-28(43)23(36)12-2-7-17-32;1-14(26)17(25-19(28)16(23)9-3-6-12-21)10-4-7-13-24-18(27)15(22)8-2-5-11-20/h31-37H,2-29,44-51H2,1H3,(H,52,59)(H,53,60)(H,54,63)(H,55,64)(H,56,61)(H,57,62);23-27H,2-21,32-37H2,1H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44);15-17H,2-13,20-23H2,1H3,(H,24,27)(H,25,28)
• InChIKey: WEMVPFKHURAIFX-UHFFFAOYSA-N
• XLogP: -4.54
• TPSA: 868.77 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 33
• Rotatable Bonds: 87
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.75
LogP ≤ 5	-4.54
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide?

The IUPAC name of 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide (CID 161482186) is 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide.

What is the SMILES notation for 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide?

The canonical SMILES for 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide is CC(=O)C(CCCCNC(=O)C(CCCCN)NC(=O)C(N)CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)CCCCN.CC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN)NC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN.CC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN.

What is the InChIKey of 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide?

The InChIKey is WEMVPFKHURAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H88N14O7.C31H64N10O5.C19H40N6O3/c1-30(58)35(55-43(64)37(57-41(62)34(51)19-5-12-26-47)22-8-15-28-53-39(60)32(49)17-3-10-24-45)20-6-13-29-54-42(63)36(56-40(61)33(50)18-4-11-25-46)21-7-14-27-52-38(59)31(48)16-2-9-23-44;1-22(42)25(39-31(46)27(16-5-10-20-35)41-29(44)24(37)13-3-8-18-33)14-6-11-21-38-30(45)26(15-4-9-19-34)40-28(43)23(36)12-2-7-17-32;1-14(26)17(25-19(28)16(23)9-3-6-12-21)10-4-7-13-24-18(27)15(22)8-2-5-11-20/h31-37H,2-29,44-51H2,1H3,(H,52,59)(H,53,60)(H,54,63)(H,55,64)(H,56,61)(H,57,62);23-27H,2-21,32-37H2,1H3,(H,38,45)(H,39,46)(H,40,43)(H,41,44);15-17H,2-13,20-23H2,1H3,(H,24,27)(H,25,28).

What are the key properties of 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide?

2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide has a molecular weight of 1970.75 g/mol, XLogP of -4.54, 87 rotatable bonds, 30 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide is sourced from PubChem (CID 161482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).