2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane

C40H69N11O12 — CID 177177684

About 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane

2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane (PubChem CID 177177684) has the molecular formula C40H69N11O12 and a molecular weight of 896.06 g/mol. Its IUPAC name is 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane.

Molecular Properties

• Compound Name: 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane
• PubChem CID: 177177684
• Molecular Formula: C40H69N11O12
• Molecular Weight: 896.06 g/mol
• Exact Mass: 895.51
• IUPAC Name: 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane
• SMILES: CC(C)C.CC(C)N(CC(=O)NCC(=O)N(C(C)C)C(C)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)O)C(=O)CNC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C1CCCN1
• InChI: InChI=1S/C36H59N11O12.C4H10/c1-20(2)46(30(52)16-42-35(58)24(10-11-26(37)48)44-27(49)14-40-34(57)23-8-6-12-38-23)19-28(50)39-17-31(53)47(21(3)4)22(5)33(56)41-15-29(51)45-13-7-9-25(45)36(59)43-18-32(54)55;1-4(2)3/h20-25,38H,6-19H2,1-5H3,(H2,37,48)(H,39,50)(H,40,57)(H,41,56)(H,42,58)(H,43,59)(H,44,49)(H,54,55);4H,1-3H3
• InChIKey: ZZAZEFIBPRGKMT-UHFFFAOYSA-N
• XLogP: -3.33
• TPSA: 327.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	896.06
LogP ≤ 5	-3.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane?

The IUPAC name of 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane (CID 177177684) is 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane.

What is the SMILES notation for 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane?

The canonical SMILES for 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane is CC(C)C.CC(C)N(CC(=O)NCC(=O)N(C(C)C)C(C)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)O)C(=O)CNC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C1CCCN1.

What is the InChIKey of 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane?

The InChIKey is ZZAZEFIBPRGKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59N11O12.C4H10/c1-20(2)46(30(52)16-42-35(58)24(10-11-26(37)48)44-27(49)14-40-34(57)23-8-6-12-38-23)19-28(50)39-17-31(53)47(21(3)4)22(5)33(56)41-15-29(51)45-13-7-9-25(45)36(59)43-18-32(54)55;1-4(2)3/h20-25,38H,6-19H2,1-5H3,(H2,37,48)(H,39,50)(H,40,57)(H,41,56)(H,42,58)(H,43,59)(H,44,49)(H,54,55);4H,1-3H3.

What are the key properties of 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane?

2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane has a molecular weight of 896.06 g/mol, XLogP of -3.33, 23 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[2-[2-[[2-[[2-[[2-[[5-amino-5-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]pentanoyl]amino]acetyl]-propan-2-ylamino]acetyl]amino]acetyl]-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid;2-methylpropane is sourced from PubChem (CID 177177684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).