(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide

C18H34N4O4 — CID 139469331

IUPAC(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
SMILESCCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](N)C1CCCCC1)C(C)O
InChIInChI=1S/C18H34N4O4/c1-3-14(24)13(9-10-19)21-18(26)16(11(2)23)22-17(25)15(20)12-7-5-4-6-8-12/h11-13,15-16,23H,3-10,19-20H2,1-2H3,(H,21,26)(H,22,25)/t11?,13-,15+,16-/m0/s1
InChIKeyZEWDSAZTQJAMQK-DQKJNJDVSA-N
MW370.49 g/mol
LogP-0.43
Rot. Bonds10

About (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide

(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide (PubChem CID 139469331) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
PubChem CID139469331
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Name(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
SMILESCCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](N)C1CCCCC1)C(C)O
InChIInChI=1S/C18H34N4O4/c1-3-14(24)13(9-10-19)21-18(26)16(11(2)23)22-17(25)15(20)12-7-5-4-6-8-12/h11-13,15-16,23H,3-10,19-20H2,1-2H3,(H,21,26)(H,22,25)/t11?,13-,15+,16-/m0/s1
InChIKeyZEWDSAZTQJAMQK-DQKJNJDVSA-N
XLogP-0.43
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxopentan-3-yl]-3-hydroxybutanamide
CID 122467369
(2S)-N-[(2S)-1-amino-3-oxopentan-2-yl]-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanamide
CID 134219614
(2R)-4-amino-2-[[(2S,3R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoic acid
CID 175902010
(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide
CID 154935037
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-hydroxypropanoate
CID 126679555
2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide
CID 139469246
(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid
CID 175773710
N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
CID 144918100
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
(2S)-2-[[4-amino-2-(2-chlorophenyl)butanoyl]amino]-N-[(2S)-1-amino-3-oxopentan-2-yl]-3-hydroxybutanamide
CID 134219603
(3S)-N-[(2S)-4-amino-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 139469267
(3R)-N-[(2S)-1-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 122467366

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
The IUPAC name of (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide (CID 139469331) is (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide is CCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](N)C1CCCCC1)C(C)O.
What is the InChIKey of (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
The InChIKey is ZEWDSAZTQJAMQK-DQKJNJDVSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-3-14(24)13(9-10-19)21-18(26)16(11(2)23)22-17(25)15(20)12-7-5-4-6-8-12/h11-13,15-16,23H,3-10,19-20H2,1-2H3,(H,21,26)(H,22,25)/t11?,13-,15+,16-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide?
(2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide has a molecular weight of 370.49 g/mol, XLogP of -0.43, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide is sourced from PubChem (CID 139469331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).