N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide

C70H134N14O16 — CID 59602924

About N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide

N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide (PubChem CID 59602924) has the molecular formula C70H134N14O16 and a molecular weight of 1427.92 g/mol. Its IUPAC name is N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide
• PubChem CID: 59602924
• Molecular Formula: C70H134N14O16
• Molecular Weight: 1427.92 g/mol
• Exact Mass: 1427.01
• IUPAC Name: N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide
• SMILES: CCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCC)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(C)(C)NCC(=O)C(C)(C)NC)C(N)=O
• InChI: InChI=1S/C70H134N14O16/c1-8-10-12-14-16-18-20-22-24-34-59(86)77-39-42-95-45-48-98-53-62(89)76-37-29-27-32-56(82-63(90)54-100-50-47-96-43-40-78-60(87)35-25-23-21-19-17-15-13-11-9-2)65(92)79-41-44-97-46-49-99-52-61(88)75-36-28-26-31-55(64(71)91)83-66(93)57(33-30-38-80-68(72)73)84-67(94)70(5,6)81-51-58(85)69(3,4)74-7/h55-57,74,81H,8-54H2,1-7H3,(H2,71,91)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,92)(H,82,90)(H,83,93)(H,84,94)(H4,72,73,80)/t55-,56-,57-/m0/s1
• InChIKey: SQAPWAAPVCJSJD-BSNUEQINSA-N
• XLogP: 2.78
• TPSA: 436.80 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 70
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.92
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	13
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 N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide?

The IUPAC name of N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide (CID 59602924) is N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide.

What is the SMILES notation for N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide?

The canonical SMILES for N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)CCCCCCCCCCC)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(C)(C)NCC(=O)C(C)(C)NC)C(N)=O.

What is the InChIKey of N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide?

The InChIKey is SQAPWAAPVCJSJD-BSNUEQINSA-N. The full InChI is InChI=1S/C70H134N14O16/c1-8-10-12-14-16-18-20-22-24-34-59(86)77-39-42-95-45-48-98-53-62(89)76-37-29-27-32-56(82-63(90)54-100-50-47-96-43-40-78-60(87)35-25-23-21-19-17-15-13-11-9-2)65(92)79-41-44-97-46-49-99-52-61(88)75-36-28-26-31-55(64(71)91)83-66(93)57(33-30-38-80-68(72)73)84-67(94)70(5,6)81-51-58(85)69(3,4)74-7/h55-57,74,81H,8-54H2,1-7H3,(H2,71,91)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,92)(H,82,90)(H,83,93)(H,84,94)(H4,72,73,80)/t55-,56-,57-/m0/s1.

What are the key properties of N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide?

N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide has a molecular weight of 1427.92 g/mol, XLogP of 2.78, 70 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[[(5S)-6-[2-[2-[2-[[(5S)-6-amino-5-[[(2S)-5-(diaminomethylideneamino)-2-[[2-methyl-2-[[3-methyl-3-(methylamino)-2-oxobutyl]amino]propanoyl]amino]pentanoyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-5-[[2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]dodecanamide is sourced from PubChem (CID 59602924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).