(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide

C22H40N6O6 — CID 100933689

IUPAC(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
SMILESCC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(N)=O
InChIInChI=1S/C22H40N6O6/c1-12(7-18(23)30)25-20(32)9-14(3)27-22(34)11-16(5)28-21(33)10-15(4)26-19(31)8-13(2)24-17(6)29/h12-16H,7-11H2,1-6H3,(H2,23,30)(H,24,29)(H,25,32)(H,26,31)(H,27,34)(H,28,33)/t12-,13-,14-,15-,16-/m0/s1
InChIKeyDYAJKJVEROHQKD-QXKUPLGCSA-N
MW484.60 g/mol
LogP-1.03
Rot. Bonds15

About (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide

(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide (PubChem CID 100933689) has the molecular formula C22H40N6O6 and a molecular weight of 484.60 g/mol. Its IUPAC name is (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide.

Molecular Properties

Compound Name(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
PubChem CID100933689
Molecular FormulaC22H40N6O6
Molecular Weight484.60 g/mol
Exact Mass484.30
IUPAC Name(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide
SMILESCC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(N)=O
InChIInChI=1S/C22H40N6O6/c1-12(7-18(23)30)25-20(32)9-14(3)27-22(34)11-16(5)28-21(33)10-15(4)26-19(31)8-13(2)24-17(6)29/h12-16H,7-11H2,1-6H3,(H2,23,30)(H,24,29)(H,25,32)(H,26,31)(H,27,34)(H,28,33)/t12-,13-,14-,15-,16-/m0/s1
InChIKeyDYAJKJVEROHQKD-QXKUPLGCSA-N
XLogP-1.03
TPSA188.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 5-1.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide with MolForge

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Related Compounds

(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
CID 104870493
3-(methylcarbamothioylamino)butanamide
CID 116510284
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
4-[[2-[(2-acetamido-4-amino-4-oxobutanoyl)amino]acetyl]amino]pentanoic acid
CID 146213659
CID 178036338
CID 178036338
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
3-(tert-butylcarbamoylamino)butanamide
CID 115695141
3-(diethylcarbamoylamino)butanamide
CID 115650436

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide?
The IUPAC name of (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide (CID 100933689) is (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide.
What is the SMILES notation for (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide?
The canonical SMILES for (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide is CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(=O)N[C@@H](C)CC(N)=O.
What is the InChIKey of (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide?
The InChIKey is DYAJKJVEROHQKD-QXKUPLGCSA-N. The full InChI is InChI=1S/C22H40N6O6/c1-12(7-18(23)30)25-20(32)9-14(3)27-22(34)11-16(5)28-21(33)10-15(4)26-19(31)8-13(2)24-17(6)29/h12-16H,7-11H2,1-6H3,(H2,23,30)(H,24,29)(H,25,32)(H,26,31)(H,27,34)(H,28,33)/t12-,13-,14-,15-,16-/m0/s1.
What are the key properties of (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide?
(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide has a molecular weight of 484.60 g/mol, XLogP of -1.03, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-acetamidobutanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanamide is sourced from PubChem (CID 100933689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).