2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid

C70H119N21O25 — CID 58061694

About 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid

2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid (PubChem CID 58061694) has the molecular formula C70H119N21O25 and a molecular weight of 1654.84 g/mol. Its IUPAC name is 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid
• PubChem CID: 58061694
• Molecular Formula: C70H119N21O25
• Molecular Weight: 1654.84 g/mol
• Exact Mass: 1653.87
• IUPAC Name: 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid
• SMILES: CNC(=O)[C@H](CCCCN(CC(=O)O)CC(=O)O)NC(=O)CCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1
• InChI: InChI=1S/C70H119N21O25/c1-73-64(106)47(17-15-16-28-91(38-62(102)103)39-63(104)105)80-58(98)24-25-77-65(107)50(35-46-36-74-45-79-46)84-66(108)48(20-22-54(71)95)83-69(111)52(41-93)86-70(112)53(42-94)85-67(109)49(21-23-55(72)96)82-68(110)51(40-92)81-59(99)37-78-61(101)44-116-34-32-114-30-27-76-60(100)43-115-33-31-113-29-26-75-57(97)19-14-12-10-8-6-4-2-3-5-7-9-11-13-18-56-87-89-90-88-56/h36,45,47-53,92-94H,2-35,37-44H2,1H3,(H2,71,95)(H2,72,96)(H,73,106)(H,74,79)(H,75,97)(H,76,100)(H,77,107)(H,78,101)(H,80,98)(H,81,99)(H,82,110)(H,83,111)(H,84,108)(H,85,109)(H,86,112)(H,102,103)(H,104,105)(H,87,88,89,90)/t47-,48-,49-,50-,51+,52-,53-/m0/s1
• InChIKey: RBVPEJUYWNOFOV-GHIHHVTPSA-N
• XLogP: -7.62
• TPSA: 693.97 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 28
• Rotatable Bonds: 71
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1654.84
LogP ≤ 5	-7.62
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid?

The IUPAC name of 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid (CID 58061694) is 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid.

What is the SMILES notation for 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid?

The canonical SMILES for 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid is CNC(=O)[C@H](CCCCN(CC(=O)O)CC(=O)O)NC(=O)CCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1.

What is the InChIKey of 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid?

The InChIKey is RBVPEJUYWNOFOV-GHIHHVTPSA-N. The full InChI is InChI=1S/C70H119N21O25/c1-73-64(106)47(17-15-16-28-91(38-62(102)103)39-63(104)105)80-58(98)24-25-77-65(107)50(35-46-36-74-45-79-46)84-66(108)48(20-22-54(71)95)83-69(111)52(41-93)86-70(112)53(42-94)85-67(109)49(21-23-55(72)96)82-68(110)51(40-92)81-59(99)37-78-61(101)44-116-34-32-114-30-27-76-60(100)43-115-33-31-113-29-26-75-57(97)19-14-12-10-8-6-4-2-3-5-7-9-11-13-18-56-87-89-90-88-56/h36,45,47-53,92-94H,2-35,37-44H2,1H3,(H2,71,95)(H2,72,96)(H,73,106)(H,74,79)(H,75,97)(H,76,100)(H,77,107)(H,78,101)(H,80,98)(H,81,99)(H,82,110)(H,83,111)(H,84,108)(H,85,109)(H,86,112)(H,102,103)(H,104,105)(H,87,88,89,90)/t47-,48-,49-,50-,51+,52-,53-/m0/s1.

What are the key properties of 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid?

2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 1654.84 g/mol, XLogP of -7.62, 71 rotatable bonds, 21 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(5S)-5-[3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-3-hydroxy-2-[[2-[[2-[2-[2-[[2-[2-[2-[16-(2H-tetrazol-5-yl)hexadecanoylamino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-6-(methylamino)-6-oxohexyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 58061694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).