(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

C23H40N6O8 — CID 100958411

IUPAC(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
SMILESCC(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C23H40N6O8/c1-11(24-18(35)21(5,6)27-14(4)30)15(31)28-22(7,8)19(36)25-12(2)16(32)29-23(9,10)20(37)26-13(3)17(33)34/h11-13H,1-10H3,(H,24,35)(H,25,36)(H,26,37)(H,27,30)(H,28,31)(H,29,32)(H,33,34)/t11-,12-,13-/m0/s1
InChIKeyXWUVDKKSKNALMT-AVGNSLFASA-N
MW528.61 g/mol
LogP-1.71
Rot. Bonds12

About (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

(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 (PubChem CID 100958411) has the molecular formula C23H40N6O8 and a molecular weight of 528.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID100958411
Molecular FormulaC23H40N6O8
Molecular Weight528.61 g/mol
Exact Mass528.29
IUPAC Name(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
SMILESCC(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C23H40N6O8/c1-11(24-18(35)21(5,6)27-14(4)30)15(31)28-22(7,8)19(36)25-12(2)16(32)29-23(9,10)20(37)26-13(3)17(33)34/h11-13H,1-10H3,(H,24,35)(H,25,36)(H,26,37)(H,27,30)(H,28,31)(H,29,32)(H,33,34)/t11-,12-,13-/m0/s1
InChIKeyXWUVDKKSKNALMT-AVGNSLFASA-N
XLogP-1.71
TPSA211.90 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 5-1.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

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
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 54515037
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 139669849
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
2-[[7-(1-carboxyethylamino)-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoyl]amino]propanoic acid
CID 3926618
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-3-diphenylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-3-dicyclohexylphosphanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
CID 10796511
2-acetamido-N-acetyl-2-methylpropanamide
CID 130013790
methoxymethylbenzene;(2S)-2-[[2-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]propanoyl]amino]propanoic acid
CID 142185141
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
CID 80750475

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (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?
The InChIKey is XWUVDKKSKNALMT-AVGNSLFASA-N. The full InChI is InChI=1S/C23H40N6O8/c1-11(24-18(35)21(5,6)27-14(4)30)15(31)28-22(7,8)19(36)25-12(2)16(32)29-23(9,10)20(37)26-13(3)17(33)34/h11-13H,1-10H3,(H,24,35)(H,25,36)(H,26,37)(H,27,30)(H,28,31)(H,29,32)(H,33,34)/t11-,12-,13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 528.61 g/mol, XLogP of -1.71, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 100958411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).