2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid

C60H87N15O21 — CID 132610067

About 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 132610067) has the molecular formula C60H87N15O21 and a molecular weight of 1354.44 g/mol. Its IUPAC name is 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
• PubChem CID: 132610067
• Molecular Formula: C60H87N15O21
• Molecular Weight: 1354.44 g/mol
• Exact Mass: 1353.62
• IUPAC Name: 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
• SMILES: O=C(O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1
• InChI: InChI=1S/C60H87N15O21/c76-36-11-21-71(56(92)31-6-1-16-61-31)46(36)51(87)62-26-41(81)67-17-2-7-32(67)57(93)72-22-12-37(77)47(72)52(88)63-27-42(82)68-18-3-8-33(68)58(94)73-23-13-38(78)48(73)53(89)64-28-43(83)69-19-4-9-34(69)59(95)74-24-14-39(79)49(74)54(90)65-29-44(84)70-20-5-10-35(70)60(96)75-25-15-40(80)50(75)55(91)66-30-45(85)86/h31-40,46-50,61,76-80H,1-30H2,(H,62,87)(H,63,88)(H,64,89)(H,65,90)(H,66,91)(H,85,86)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,46-,47-,48-,49-,50-/m0/s1
• InChIKey: AYUPHBSHYWVIQH-RNFIGVCNSA-N
• XLogP: -9.82
• TPSA: 478.77 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.44
LogP ≤ 5	-9.82
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid (CID 132610067) is 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1.

What is the InChIKey of 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?

The InChIKey is AYUPHBSHYWVIQH-RNFIGVCNSA-N. The full InChI is InChI=1S/C60H87N15O21/c76-36-11-21-71(56(92)31-6-1-16-61-31)46(36)51(87)62-26-41(81)67-17-2-7-32(67)57(93)72-22-12-37(77)47(72)52(88)63-27-42(82)68-18-3-8-33(68)58(94)73-23-13-38(78)48(73)53(89)64-28-43(83)69-19-4-9-34(69)59(95)74-24-14-39(79)49(74)54(90)65-29-44(84)70-20-5-10-35(70)60(96)75-25-15-40(80)50(75)55(91)66-30-45(85)86/h31-40,46-50,61,76-80H,1-30H2,(H,62,87)(H,63,88)(H,64,89)(H,65,90)(H,66,91)(H,85,86)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,46-,47-,48-,49-,50-/m0/s1.

What are the key properties of 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid?

2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 1354.44 g/mol, XLogP of -9.82, 20 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-1-[2-[[(2S,3S)-3-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 132610067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).