(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide

C17H34N4O4 — CID 10524710

IUPAC(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
SMILESCCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC
InChIInChI=1S/C17H34N4O4/c1-6-7-8-12(18)14(22)17(25)20-11(4)15(23)21-13(9-10(2)3)16(24)19-5/h10-14,22H,6-9,18H2,1-5H3,(H,19,24)(H,20,25)(H,21,23)/t11-,12+,13-,14-/m0/s1
InChIKeyCLMQKZVZBCKYTG-CRWXNKLISA-N
MW358.48 g/mol
LogP-0.35
Rot. Bonds11

About (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide

(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide (PubChem CID 10524710) has the molecular formula C17H34N4O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
PubChem CID10524710
Molecular FormulaC17H34N4O4
Molecular Weight358.48 g/mol
Exact Mass358.26
IUPAC Name(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
SMILESCCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC
InChIInChI=1S/C17H34N4O4/c1-6-7-8-12(18)14(22)17(25)20-11(4)15(23)21-13(9-10(2)3)16(24)19-5/h10-14,22H,6-9,18H2,1-5H3,(H,19,24)(H,20,25)(H,21,23)/t11-,12+,13-,14-/m0/s1
InChIKeyCLMQKZVZBCKYTG-CRWXNKLISA-N
XLogP-0.35
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide with MolForge

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Related Compounds

N-[6-amino-1-[[1-[[1-[[1-[[6-amino-1-[[4-methyl-1-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-hexadecyloctadecanamide
CID 20670494
N-[(2S)-6-amino-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-hexadecyloctadecanamide
CID 58811054
(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 175961373
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[1-[[6-amino-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylhexanamide
CID 59979804
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18745306
(2S)-2-amino-N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]-4-methylpentanamide
CID 148549445
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725
(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
CID 10805367
2-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 4584163
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 175717143

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide (CID 10524710) is (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide is CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
The InChIKey is CLMQKZVZBCKYTG-CRWXNKLISA-N. The full InChI is InChI=1S/C17H34N4O4/c1-6-7-8-12(18)14(22)17(25)20-11(4)15(23)21-13(9-10(2)3)16(24)19-5/h10-14,22H,6-9,18H2,1-5H3,(H,19,24)(H,20,25)(H,21,23)/t11-,12+,13-,14-/m0/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
(2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide has a molecular weight of 358.48 g/mol, XLogP of -0.35, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-N-[(2S)-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide is sourced from PubChem (CID 10524710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).