(2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide

C23H37N5O3S — CID 10917579

IUPAC(2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide
SMILESNCCCC[C@H](NC(=O)CN(C(=O)[C@H](N)CC1CCCCC1)C1CC1)C(=O)c1nccs1
InChIInChI=1S/C23H37N5O3S/c24-11-5-4-8-19(21(30)22-26-12-13-32-22)27-20(29)15-28(17-9-10-17)23(31)18(25)14-16-6-2-1-3-7-16/h12-13,16-19H,1-11,14-15,24-25H2,(H,27,29)/t18-,19+/m1/s1
InChIKeyMIOHCCFKHZQDPS-MOPGFXCFSA-N
MW463.65 g/mol
LogP2.23
Rot. Bonds13

About (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide

(2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide (PubChem CID 10917579) has the molecular formula C23H37N5O3S and a molecular weight of 463.65 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide
PubChem CID10917579
Molecular FormulaC23H37N5O3S
Molecular Weight463.65 g/mol
Exact Mass463.26
IUPAC Name(2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide
SMILESNCCCC[C@H](NC(=O)CN(C(=O)[C@H](N)CC1CCCCC1)C1CC1)C(=O)c1nccs1
InChIInChI=1S/C23H37N5O3S/c24-11-5-4-8-19(21(30)22-26-12-13-32-22)27-20(29)15-28(17-9-10-17)23(31)18(25)14-16-6-2-1-3-7-16/h12-13,16-19H,1-11,14-15,24-25H2,(H,27,29)/t18-,19+/m1/s1
InChIKeyMIOHCCFKHZQDPS-MOPGFXCFSA-N
XLogP2.23
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide with MolForge

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Related Compounds

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CID 118721642
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Ac-Lys-Arg-Leu-Arg-thiazol-2-yl
CID 118721649
Ac-Arg-Lys-Leu-Arg-thiazol-2-yl
CID 118721659
Ac-Lys-Gln-Leu-D-Arg-thiazol-2-yl
CID 127042186
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 10245529
[(S)-1-((2S,3aS,7aS)-Octahydro-indole-2-carbonyl)-pyrrolidin-2-yl]-thiazol-2-yl-methanone; hydrochloride
CID 10336929
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 11479066
(6S,8aS)-2-(3-cyclohexylpropanoyl)-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44338606
2-[(S)-3-(3-Guanidino-propyl)-2-oxo-piperazin-1-yl]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376514
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 44453458
Ac-Gln-Leu-Arg-thiazol-2-yl
CID 127042541

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide (CID 10917579) is (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide is NCCCC[C@H](NC(=O)CN(C(=O)[C@H](N)CC1CCCCC1)C1CC1)C(=O)c1nccs1.
What is the InChIKey of (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide?
The InChIKey is MIOHCCFKHZQDPS-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H37N5O3S/c24-11-5-4-8-19(21(30)22-26-12-13-32-22)27-20(29)15-28(17-9-10-17)23(31)18(25)14-16-6-2-1-3-7-16/h12-13,16-19H,1-11,14-15,24-25H2,(H,27,29)/t18-,19+/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide?
(2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide has a molecular weight of 463.65 g/mol, XLogP of 2.23, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[[(2S)-6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]amino]-2-oxoethyl]-3-cyclohexyl-N-cyclopropylpropanamide is sourced from PubChem (CID 10917579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).