(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide

C24H34N4O2 — CID 56956524

IUPAC(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H](N)C(C)C)c1ccccc1
InChIInChI=1S/C24H34N4O2/c1-15(2)19(25)23(29)27-21(17-11-7-5-8-12-17)22(18-13-9-6-10-14-18)28-24(30)20(26)16(3)4/h5-16,19-22H,25-26H2,1-4H3,(H,27,29)(H,28,30)/t19-,20-,21-,22-/m0/s1
InChIKeyZHGSWCWCWXKLPF-CMOCDZPBSA-N
MW410.56 g/mol
LogP2.67
Rot. Bonds9

About (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide

(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide (PubChem CID 56956524) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
PubChem CID56956524
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H](N)C(C)C)c1ccccc1
InChIInChI=1S/C24H34N4O2/c1-15(2)19(25)23(29)27-21(17-11-7-5-8-12-17)22(18-13-9-6-10-14-18)28-24(30)20(26)16(3)4/h5-16,19-22H,25-26H2,1-4H3,(H,27,29)(H,28,30)/t19-,20-,21-,22-/m0/s1
InChIKeyZHGSWCWCWXKLPF-CMOCDZPBSA-N
XLogP2.67
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
3-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 61159314
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 76888023
3-amino-4-[(2-methyl-1-phenylpropyl)amino]-4-oxobutanoic acid
CID 64896854
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide (CID 56956524) is (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H](N)C(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide?
The InChIKey is ZHGSWCWCWXKLPF-CMOCDZPBSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-15(2)19(25)23(29)27-21(17-11-7-5-8-12-17)22(18-13-9-6-10-14-18)28-24(30)20(26)16(3)4/h5-16,19-22H,25-26H2,1-4H3,(H,27,29)(H,28,30)/t19-,20-,21-,22-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide?
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide has a molecular weight of 410.56 g/mol, XLogP of 2.67, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide is sourced from PubChem (CID 56956524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).