N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid

C97H137N9O9 — CID 158854433

IUPACN-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid
SMILESC[C@@H](CN)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.C[C@H](CN)CNC(=O)OC(C)(C)C.NC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.O=C(O)C(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C27H38N2O3.C22H30N2O.C21H29N3O.C18H20O2.C9H20N2O2/c1-21(20-29-26(31)32-27(2,3)4)19-28-25(30)24(17-15-22-11-7-5-8-12-22)18-16-23-13-9-6-10-14-23;1-18(16-23)17-24-22(25)21(14-12-19-8-4-2-5-9-19)15-13-20-10-6-3-7-11-20;22-15-20(23)16-24-21(25)19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18;19-18(20)17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-7(5-10)6-11-8(12)13-9(2,3)4/h5-14,21,24H,15-20H2,1-4H3,(H,28,30)(H,29,31);2-11,18,21H,12-17,23H2,1H3,(H,24,25);1-10,19-20H,11-16,22-23H2,(H,24,25);1-10,17H,11-14H2,(H,19,20);7H,5-6,10H2,1-4H3,(H,11,12)/t21-;18-;20-;;7-/m100.1/s1
InChIKeyIZWBIOFTIVJQKZ-UIQSZFPXSA-N
MW1573.22 g/mol
LogP16.05
Rot. Bonds41

About N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid

N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid (PubChem CID 158854433) has the molecular formula C97H137N9O9 and a molecular weight of 1573.22 g/mol. Its IUPAC name is N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid.

Molecular Properties

Compound NameN-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid
PubChem CID158854433
Molecular FormulaC97H137N9O9
Molecular Weight1573.22 g/mol
Exact Mass1572.05
IUPAC NameN-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid
SMILESC[C@@H](CN)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.C[C@H](CN)CNC(=O)OC(C)(C)C.NC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.O=C(O)C(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C27H38N2O3.C22H30N2O.C21H29N3O.C18H20O2.C9H20N2O2/c1-21(20-29-26(31)32-27(2,3)4)19-28-25(30)24(17-15-22-11-7-5-8-12-22)18-16-23-13-9-6-10-14-23;1-18(16-23)17-24-22(25)21(14-12-19-8-4-2-5-9-19)15-13-20-10-6-3-7-11-20;22-15-20(23)16-24-21(25)19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18;19-18(20)17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-7(5-10)6-11-8(12)13-9(2,3)4/h5-14,21,24H,15-20H2,1-4H3,(H,28,30)(H,29,31);2-11,18,21H,12-17,23H2,1H3,(H,24,25);1-10,19-20H,11-16,22-23H2,(H,24,25);1-10,17H,11-14H2,(H,19,20);7H,5-6,10H2,1-4H3,(H,11,12)/t21-;18-;20-;;7-/m100.1/s1
InChIKeyIZWBIOFTIVJQKZ-UIQSZFPXSA-N
XLogP16.05
TPSA305.34 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds41
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.22
LogP ≤ 516.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid with MolForge

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Related Compounds

benzyl N-[(3S)-3-methyl-4-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]butyl]carbamate;N-[(2S)-2,4-diaminobutyl]-4-phenyl-2-(2-phenylethyl)butanamide;(2S)-2-methylpentan-1-amine;4-phenyl-2-(2-phenylethyl)butanoic acid
CID 159045122
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 56923716
tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
CID 130376707

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid?
The IUPAC name of N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid (CID 158854433) is N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid.
What is the SMILES notation for N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid?
The canonical SMILES for N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid is C[C@@H](CN)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.C[C@H](CN)CNC(=O)OC(C)(C)C.NC[C@H](N)CNC(=O)C(CCc1ccccc1)CCc1ccccc1.O=C(O)C(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid?
The InChIKey is IZWBIOFTIVJQKZ-UIQSZFPXSA-N. The full InChI is InChI=1S/C27H38N2O3.C22H30N2O.C21H29N3O.C18H20O2.C9H20N2O2/c1-21(20-29-26(31)32-27(2,3)4)19-28-25(30)24(17-15-22-11-7-5-8-12-22)18-16-23-13-9-6-10-14-23;1-18(16-23)17-24-22(25)21(14-12-19-8-4-2-5-9-19)15-13-20-10-6-3-7-11-20;22-15-20(23)16-24-21(25)19(13-11-17-7-3-1-4-8-17)14-12-18-9-5-2-6-10-18;19-18(20)17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-7(5-10)6-11-8(12)13-9(2,3)4/h5-14,21,24H,15-20H2,1-4H3,(H,28,30)(H,29,31);2-11,18,21H,12-17,23H2,1H3,(H,24,25);1-10,19-20H,11-16,22-23H2,(H,24,25);1-10,17H,11-14H2,(H,19,20);7H,5-6,10H2,1-4H3,(H,11,12)/t21-;18-;20-;;7-/m100.1/s1.
What are the key properties of N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid?
N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid has a molecular weight of 1573.22 g/mol, XLogP of 16.05, 41 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-2-methylpropyl]-4-phenyl-2-(2-phenylethyl)butanamide;tert-butyl N-[(2R)-3-amino-2-methylpropyl]carbamate;tert-butyl N-[(2R)-2-methyl-3-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]propyl]carbamate;N-[(2S)-2,3-diaminopropyl]-4-phenyl-2-(2-phenylethyl)butanamide;4-phenyl-2-(2-phenylethyl)butanoic acid is sourced from PubChem (CID 158854433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).