6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

C65H129N11O10S — CID 175044888

About 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid (PubChem CID 175044888) has the molecular formula C65H129N11O10S and a molecular weight of 1256.88 g/mol. Its IUPAC name is 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
• PubChem CID: 175044888
• Molecular Formula: C65H129N11O10S
• Molecular Weight: 1256.88 g/mol
• Exact Mass: 1255.96
• IUPAC Name: 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
• SMILES: CCCCCCCCCCCCCCCCNC(CSCCNC(=O)OCCCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O
• InChI: InChI=1S/C65H129N11O10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-47-70-58(52-87-50-48-71-65(85)86-49-38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)63(82)76-57(51-77)62(81)74-54(40-30-34-44-67)60(79)72-53(39-29-33-43-66)59(78)73-55(41-31-35-45-68)61(80)75-56(64(83)84)42-32-36-46-69/h53-58,70,77H,3-52,66-69H2,1-2H3,(H,71,85)(H,72,79)(H,73,78)(H,74,81)(H,75,80)(H,76,82)(H,83,84)
• InChIKey: LERVFPSKOUSYGO-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 357.47 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 15
• Rotatable Bonds: 64
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1256.88
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid (CID 175044888) is 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid is CCCCCCCCCCCCCCCCNC(CSCCNC(=O)OCCCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O.

What is the InChIKey of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

The InChIKey is LERVFPSKOUSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H129N11O10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-47-70-58(52-87-50-48-71-65(85)86-49-38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)63(82)76-57(51-77)62(81)74-54(40-30-34-44-67)60(79)72-53(39-29-33-43-66)59(78)73-55(41-31-35-45-68)61(80)75-56(64(83)84)42-32-36-46-69/h53-58,70,77H,3-52,66-69H2,1-2H3,(H,71,85)(H,72,79)(H,73,78)(H,74,81)(H,75,80)(H,76,82)(H,83,84).

What are the key properties of 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid?

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid has a molecular weight of 1256.88 g/mol, XLogP of 8.38, 64 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2-(hexadecoxycarbonylamino)ethylsulfanyl]-2-(hexadecylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid is sourced from PubChem (CID 175044888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).