(2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide

C24H43N5O5 — CID 15432080

IUPAC(2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C24H43N5O5/c1-14(2)12-18(26-16(5)30)21(32)25-13-24(7,8)28-22(33)19-10-9-11-29(19)23(34)20(15(3)4)27-17(6)31/h14-15,18-20H,9-13H2,1-8H3,(H,25,32)(H,26,30)(H,27,31)(H,28,33)/t18-,19+,20-/m0/s1
InChIKeyNZUIBFHTLUTTDD-ZCNNSNEGSA-N
MW481.64 g/mol
LogP0.70
Rot. Bonds11

About (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide

(2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 15432080) has the molecular formula C24H43N5O5 and a molecular weight of 481.64 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID15432080
Molecular FormulaC24H43N5O5
Molecular Weight481.64 g/mol
Exact Mass481.33
IUPAC Name(2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C24H43N5O5/c1-14(2)12-18(26-16(5)30)21(32)25-13-24(7,8)28-22(33)19-10-9-11-29(19)23(34)20(15(3)4)27-17(6)31/h14-15,18-20H,9-13H2,1-8H3,(H,25,32)(H,26,30)(H,27,31)(H,28,33)/t18-,19+,20-/m0/s1
InChIKeyNZUIBFHTLUTTDD-ZCNNSNEGSA-N
XLogP0.70
TPSA136.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]ethyl]pyrrolidine-2-carboxamide
CID 101048122
(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 122223491
(4S)-4-acetamido-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(carboxymethylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 10123441
(3S)-3-acetamido-4-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-1-oxo-1-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 163410322
(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 10787654
2-[[1-[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18262354
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101096464
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-N-[(2S)-1-[[2-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 175701574
(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 67726436
1-(2-acetamido-3,3-dimethylbutanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540150
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71368732
2-[[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18300325

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide (CID 15432080) is (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide is CC(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C.
What is the InChIKey of (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is NZUIBFHTLUTTDD-ZCNNSNEGSA-N. The full InChI is InChI=1S/C24H43N5O5/c1-14(2)12-18(26-16(5)30)21(32)25-13-24(7,8)28-22(33)19-10-9-11-29(19)23(34)20(15(3)4)27-17(6)31/h14-15,18-20H,9-13H2,1-8H3,(H,25,32)(H,26,30)(H,27,31)(H,28,33)/t18-,19+,20-/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide?
(2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 0.70, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[1-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15432080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).