methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate

C25H44N6O8 — CID 10482842

IUPACmethyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O
InChIInChI=1S/C25H44N6O8/c1-13(26-18(35)22(4,5)28-15(3)32)16(33)29-23(6,7)19(36)27-14(2)17(34)30-24(8,9)20(37)31-25(10,11)21(38)39-12/h13-14H,1-12H3,(H,26,35)(H,27,36)(H,28,32)(H,29,33)(H,30,34)(H,31,37)/t13-,14-/m0/s1
InChIKeyRMHKLMGEXJNVLY-KBPBESRZSA-N
MW556.66 g/mol
LogP-1.23
Rot. Bonds12

About methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate

methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate (PubChem CID 10482842) has the molecular formula C25H44N6O8 and a molecular weight of 556.66 g/mol. Its IUPAC name is methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
PubChem CID10482842
Molecular FormulaC25H44N6O8
Molecular Weight556.66 g/mol
Exact Mass556.32
IUPAC Namemethyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O
InChIInChI=1S/C25H44N6O8/c1-13(26-18(35)22(4,5)28-15(3)32)16(33)29-23(6,7)19(36)27-14(2)17(34)30-24(8,9)20(37)31-25(10,11)21(38)39-12/h13-14H,1-12H3,(H,26,35)(H,27,36)(H,28,32)(H,29,33)(H,30,34)(H,31,37)/t13-,14-/m0/s1
InChIKeyRMHKLMGEXJNVLY-KBPBESRZSA-N
XLogP-1.23
TPSA200.90 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 5-1.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
CID 100958411
tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 71614402
(3S)-3-amino-4-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73347171
tert-butyl (2S)-2-[[1-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 5492314
[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]pyrrolidin-2-yl]methyl acetate
CID 139588514
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
CID 80543490
methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
CID 62851658
tert-butyl 2-methyl-2-[[(2S)-2-[[(2S)-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 134825774
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
CID 65264360
methyl 2-[[(2S)-2-acetamidopent-4-ynoyl]amino]-2-methylpropanoate
CID 71725581
methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
CID 132530910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate (CID 10482842) is methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O.
What is the InChIKey of methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
The InChIKey is RMHKLMGEXJNVLY-KBPBESRZSA-N. The full InChI is InChI=1S/C25H44N6O8/c1-13(26-18(35)22(4,5)28-15(3)32)16(33)29-23(6,7)19(36)27-14(2)17(34)30-24(8,9)20(37)31-25(10,11)21(38)39-12/h13-14H,1-12H3,(H,26,35)(H,27,36)(H,28,32)(H,29,33)(H,30,34)(H,31,37)/t13-,14-/m0/s1.
What are the key properties of methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate has a molecular weight of 556.66 g/mol, XLogP of -1.23, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[(2S)-2-[[2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 10482842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).