2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane

C57H108N10O15 — CID 158240988

IUPAC2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane
SMILESC.CCC(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)C(C)CC)C(C)CC)CC(C)O)CC(C)O)C(C)CC)C(C)CC)CC(C)O)CC(C)O)C(C)CC
InChIInChI=1S/C56H104N10O15.CH4/c1-17-37(7)57-23-47(71)62(38(8)18-2)32-50(74)58(24-43(13)67)28-48(72)60(26-45(15)69)30-52(76)64(40(10)20-4)34-54(78)63(39(9)19-3)33-51(75)59(25-44(14)68)29-49(73)61(27-46(16)70)31-53(77)65(41(11)21-5)35-55(79)66(36-56(80)81)42(12)22-6;/h37-46,57,67-70H,17-36H2,1-16H3,(H,80,81);1H4
InChIKeyGFNPMHJBLVUINO-UHFFFAOYSA-N
MW1173.55 g/mol
LogP1.07
Rot. Bonds40

About 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane

2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane (PubChem CID 158240988) has the molecular formula C57H108N10O15 and a molecular weight of 1173.55 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane
PubChem CID158240988
Molecular FormulaC57H108N10O15
Molecular Weight1173.55 g/mol
Exact Mass1172.80
IUPAC Name2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane
SMILESC.CCC(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)C(C)CC)C(C)CC)CC(C)O)CC(C)O)C(C)CC)C(C)CC)CC(C)O)CC(C)O)C(C)CC
InChIInChI=1S/C56H104N10O15.CH4/c1-17-37(7)57-23-47(71)62(38(8)18-2)32-50(74)58(24-43(13)67)28-48(72)60(26-45(15)69)30-52(76)64(40(10)20-4)34-54(78)63(39(9)19-3)33-51(75)59(25-44(14)68)29-49(73)61(27-46(16)70)31-53(77)65(41(11)21-5)35-55(79)66(36-56(80)81)42(12)22-6;/h37-46,57,67-70H,17-36H2,1-16H3,(H,80,81);1H4
InChIKeyGFNPMHJBLVUINO-UHFFFAOYSA-N
XLogP1.07
TPSA313.04 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.55
LogP ≤ 51.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-2-[[(2R)-butan-2-yl]amino]acetamide;methane
CID 162173053
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-2-[[(2S)-butan-2-yl]amino]acetamide
CID 146637791
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-2-[[(2S)-butan-2-yl]amino]acetamide
CID 146637965
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-2-[[(2R)-butan-2-yl]amino]acetamide
CID 146638126
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-[(2S)-2-hydroxypropyl]amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-2-[[(2S)-butan-2-yl]amino]acetamide
CID 146637799
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-N-butan-2-ylpropanamide
CID 134565490
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-[(2R)-butan-2-yl]amino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-2-[[(2R)-butan-2-yl]amino]acetamide
CID 146637785
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-butan-2-ylamino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-N-butan-2-yl-2-(butan-2-ylamino)acetamide
CID 146637962
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-(2-hydroxypropyl)amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide
CID 129048928
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane?
The IUPAC name of 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane (CID 158240988) is 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane.
What is the SMILES notation for 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane?
The canonical SMILES for 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane is C.CCC(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)C(C)CC)C(C)CC)CC(C)O)CC(C)O)C(C)CC)C(C)CC)CC(C)O)CC(C)O)C(C)CC.
What is the InChIKey of 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane?
The InChIKey is GFNPMHJBLVUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H104N10O15.CH4/c1-17-37(7)57-23-47(71)62(38(8)18-2)32-50(74)58(24-43(13)67)28-48(72)60(26-45(15)69)30-52(76)64(40(10)20-4)34-54(78)63(39(9)19-3)33-51(75)59(25-44(14)68)29-49(73)61(27-46(16)70)31-53(77)65(41(11)21-5)35-55(79)66(36-56(80)81)42(12)22-6;/h37-46,57,67-70H,17-36H2,1-16H3,(H,80,81);1H4.
What are the key properties of 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane?
2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane has a molecular weight of 1173.55 g/mol, XLogP of 1.07, 40 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-[butan-2-yl-[2-[[2-[[2-[butan-2-yl-[2-(butan-2-ylamino)acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetyl]-(2-hydroxypropyl)amino]acetyl]-(2-hydroxypropyl)amino]acetyl]amino]acetyl]amino]acetic acid;methane is sourced from PubChem (CID 158240988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).