2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide

C38H53N13O13 — CID 71534794

About 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide

2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 71534794) has the molecular formula C38H53N13O13 and a molecular weight of 899.92 g/mol. Its IUPAC name is 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide
• PubChem CID: 71534794
• Molecular Formula: C38H53N13O13
• Molecular Weight: 899.92 g/mol
• Exact Mass: 899.39
• IUPAC Name: 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide
• SMILES: CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(N)=O
• InChI: InChI=1S/C38H53N13O13/c1-14(52)40-16-3-28(54)43-18(16)5-30(56)44-20-7-32(58)47-22(20)9-34(60)48-24-11-36(62)51-26(24)13-38(64)50-25-12-37(63)49-23(25)10-35(61)46-21-8-33(59)45-19(21)6-31(57)42-17-4-29(55)41-15(17)2-27(39)53/h15-26H,2-13H2,1H3,(H2,39,53)(H,40,52)(H,41,55)(H,42,57)(H,43,54)(H,44,56)(H,45,59)(H,46,61)(H,47,58)(H,48,60)(H,49,63)(H,50,64)(H,51,62)/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-/m1/s1
• InChIKey: UWSXIYPSYZUNQM-QWWDTMMJSA-N
• XLogP: -7.93
• TPSA: 392.29 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.92
LogP ≤ 5	-7.93
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide?

The IUPAC name of 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide (CID 71534794) is 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide.

What is the SMILES notation for 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide?

The canonical SMILES for 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide is CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)N[C@H]1CC(=O)N[C@@H]1CC(N)=O.

What is the InChIKey of 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide?

The InChIKey is UWSXIYPSYZUNQM-QWWDTMMJSA-N. The full InChI is InChI=1S/C38H53N13O13/c1-14(52)40-16-3-28(54)43-18(16)5-30(56)44-20-7-32(58)47-22(20)9-34(60)48-24-11-36(62)51-26(24)13-38(64)50-25-12-37(63)49-23(25)10-35(61)46-21-8-33(59)45-19(21)6-31(57)42-17-4-29(55)41-15(17)2-27(39)53/h15-26H,2-13H2,1H3,(H2,39,53)(H,40,52)(H,41,55)(H,42,57)(H,43,54)(H,44,56)(H,45,59)(H,46,61)(H,47,58)(H,48,60)(H,49,63)(H,50,64)(H,51,62)/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-/m1/s1.

What are the key properties of 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide?

2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 899.92 g/mol, XLogP of -7.93, 18 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 71534794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).