(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide

C24H40N4O5 — CID 14019901

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide
SMILESCC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1
InChIKeyPDXVJTHNKZZZIA-KHMGXFTDSA-N
MW464.61 g/mol
LogP1.23
Rot. Bonds12

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide (PubChem CID 14019901) has the molecular formula C24H40N4O5 and a molecular weight of 464.61 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide
PubChem CID14019901
Molecular FormulaC24H40N4O5
Molecular Weight464.61 g/mol
Exact Mass464.30
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide
SMILESCC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1
InChIKeyPDXVJTHNKZZZIA-KHMGXFTDSA-N
XLogP1.23
TPSA142.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 51.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide (CID 14019901) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide is CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide?
The InChIKey is PDXVJTHNKZZZIA-KHMGXFTDSA-N. The full InChI is InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 1.23, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 14019901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).