(2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide

C25H29N3O2 — CID 10363807

IUPAC(2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H29N3O2/c26-22(16-19-10-4-1-5-11-19)24(29)23(27-17-20-12-6-2-7-13-20)25(30)28-18-21-14-8-3-9-15-21/h1-15,22-24,27,29H,16-18,26H2,(H,28,30)/t22-,23+,24+/m0/s1
InChIKeyUJAYHNWQMDIEOW-RBZQAINGSA-N
MW403.53 g/mol
LogP2.39
Rot. Bonds10

About (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide

(2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide (PubChem CID 10363807) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name(2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide
PubChem CID10363807
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H29N3O2/c26-22(16-19-10-4-1-5-11-19)24(29)23(27-17-20-12-6-2-7-13-20)25(30)28-18-21-14-8-3-9-15-21/h1-15,22-24,27,29H,16-18,26H2,(H,28,30)/t22-,23+,24+/m0/s1
InChIKeyUJAYHNWQMDIEOW-RBZQAINGSA-N
XLogP2.39
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-4-amino-N-[(2S)-1-[(5-bromo-2-hydroxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-2-[(4-methoxyphenyl)methylamino]-5-phenylpentanamide
CID 90978907
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
benzyl N-[(2S)-1-[[4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 20832593
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
[3-amino-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl] 2,2,2-trifluoroacetate
CID 174760145
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
2,3-diamino-N-benzylbutanamide
CID 143155055

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide?
The IUPAC name of (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide (CID 10363807) is (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide.
What is the SMILES notation for (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide?
The canonical SMILES for (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide is N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide?
The InChIKey is UJAYHNWQMDIEOW-RBZQAINGSA-N. The full InChI is InChI=1S/C25H29N3O2/c26-22(16-19-10-4-1-5-11-19)24(29)23(27-17-20-12-6-2-7-13-20)25(30)28-18-21-14-8-3-9-15-21/h1-15,22-24,27,29H,16-18,26H2,(H,28,30)/t22-,23+,24+/m0/s1.
What are the key properties of (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide?
(2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide has a molecular weight of 403.53 g/mol, XLogP of 2.39, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-amino-N-benzyl-2-(benzylamino)-3-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 10363807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).