3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride

C35H54ClN7O8 — CID 159999863

IUPAC3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride
SMILESCCCC(C)C(O)C(=O)NCC(=O)N[C@H](C(=O)NC)c1ccccc1.CCCC(N)C(O)C(=O)NCC(=O)N[C@H](C(=O)NC)c1ccccc1.Cl
InChIInChI=1S/C18H27N3O4.C17H26N4O4.ClH/c1-4-8-12(2)16(23)18(25)20-11-14(22)21-15(17(24)19-3)13-9-6-5-7-10-13;1-3-7-12(18)15(23)17(25)20-10-13(22)21-14(16(24)19-2)11-8-5-4-6-9-11;/h5-7,9-10,12,15-16,23H,4,8,11H2,1-3H3,(H,19,24)(H,20,25)(H,21,22);4-6,8-9,12,14-15,23H,3,7,10,18H2,1-2H3,(H,19,24)(H,20,25)(H,21,22);1H/t12?,15-,16?;12?,14-,15?;/m00./s1
InChIKeyGIPNZBGUZKUDGR-FUUPYHGMSA-N
MW736.31 g/mol
LogP0.12
Rot. Bonds18

About 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride

3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride (PubChem CID 159999863) has the molecular formula C35H54ClN7O8 and a molecular weight of 736.31 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride
PubChem CID159999863
Molecular FormulaC35H54ClN7O8
Molecular Weight736.31 g/mol
Exact Mass735.37
IUPAC Name3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride
SMILESCCCC(C)C(O)C(=O)NCC(=O)N[C@H](C(=O)NC)c1ccccc1.CCCC(N)C(O)C(=O)NCC(=O)N[C@H](C(=O)NC)c1ccccc1.Cl
InChIInChI=1S/C18H27N3O4.C17H26N4O4.ClH/c1-4-8-12(2)16(23)18(25)20-11-14(22)21-15(17(24)19-3)13-9-6-5-7-10-13;1-3-7-12(18)15(23)17(25)20-10-13(22)21-14(16(24)19-2)11-8-5-4-6-9-11;/h5-7,9-10,12,15-16,23H,4,8,11H2,1-3H3,(H,19,24)(H,20,25)(H,21,22);4-6,8-9,12,14-15,23H,3,7,10,18H2,1-2H3,(H,19,24)(H,20,25)(H,21,22);1H/t12?,15-,16?;12?,14-,15?;/m00./s1
InChIKeyGIPNZBGUZKUDGR-FUUPYHGMSA-N
XLogP0.12
TPSA241.08 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.31
LogP ≤ 50.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide
CID 59979466
(2S)-2-amino-N-methyl-2-phenylacetamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;methane;hydrochloride
CID 159106601
3-amino-2-hydroxy-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-amino-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(1-phenylethylamino)ethyl]hexanamide
CID 91486659
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
CID 142110705
[(3S)-1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]carbamic acid
CID 68554414
3-amino-5-methyl-N-[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-oxohexanamide
CID 70315104
2-[[2-[(3-amino-2-propylheptanoyl)amino]acetyl]amino]-2-phenylacetic acid
CID 142090596
(3S)-3-amino-N-[2-[[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-hydroxyhexanamide
CID 87495872
3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010
3-amino-2-oxo-N-[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]hexanamide
CID 70315122

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride?
The IUPAC name of 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride (CID 159999863) is 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride?
The canonical SMILES for 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride is CCCC(C)C(O)C(=O)NCC(=O)N[C@H](C(=O)NC)c1ccccc1.CCCC(N)C(O)C(=O)NCC(=O)N[C@H](C(=O)NC)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride?
The InChIKey is GIPNZBGUZKUDGR-FUUPYHGMSA-N. The full InChI is InChI=1S/C18H27N3O4.C17H26N4O4.ClH/c1-4-8-12(2)16(23)18(25)20-11-14(22)21-15(17(24)19-3)13-9-6-5-7-10-13;1-3-7-12(18)15(23)17(25)20-10-13(22)21-14(16(24)19-2)11-8-5-4-6-9-11;/h5-7,9-10,12,15-16,23H,4,8,11H2,1-3H3,(H,19,24)(H,20,25)(H,21,22);4-6,8-9,12,14-15,23H,3,7,10,18H2,1-2H3,(H,19,24)(H,20,25)(H,21,22);1H/t12?,15-,16?;12?,14-,15?;/m00./s1.
What are the key properties of 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride?
3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride has a molecular weight of 736.31 g/mol, XLogP of 0.12, 18 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;hydrochloride is sourced from PubChem (CID 159999863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).