(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide

C17H26N6O2 — CID 11725187

IUPAC(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide
SMILESCC(C)[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C17H26N6O2/c1-11(2)13(17(25)19-10-16-20-22-23-21-16)9-15(24)14(18)8-12-6-4-3-5-7-12/h3-7,11,13-15,24H,8-10,18H2,1-2H3,(H,19,25)(H,20,21,22,23)/t13-,14-,15-/m0/s1
InChIKeyUCSUKSBYQUFJJM-KKUMJFAQSA-N
MW346.44 g/mol
LogP0.41
Rot. Bonds9

About (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide

(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide (PubChem CID 11725187) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide
PubChem CID11725187
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide
SMILESCC(C)[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1nn[nH]n1
InChIInChI=1S/C17H26N6O2/c1-11(2)13(17(25)19-10-16-20-22-23-21-16)9-15(24)14(18)8-12-6-4-3-5-7-12/h3-7,11,13-15,24H,8-10,18H2,1-2H3,(H,19,25)(H,20,21,22,23)/t13-,14-,15-/m0/s1
InChIKeyUCSUKSBYQUFJJM-KKUMJFAQSA-N
XLogP0.41
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide
CID 135775451
(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide
CID 135678156
[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate
CID 166386432
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
CID 68890744
(2S,3S,5S)-2-amino-1-phenyl-5-propan-2-ylhept-6-en-3-ol
CID 57225946
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
CID 69257317
[(2S)-1-[[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68792623
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide?
The IUPAC name of (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide (CID 11725187) is (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide.
What is the SMILES notation for (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide?
The canonical SMILES for (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide is CC(C)[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1nn[nH]n1.
What is the InChIKey of (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide?
The InChIKey is UCSUKSBYQUFJJM-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)13(17(25)19-10-16-20-22-23-21-16)9-15(24)14(18)8-12-6-4-3-5-7-12/h3-7,11,13-15,24H,8-10,18H2,1-2H3,(H,19,25)(H,20,21,22,23)/t13-,14-,15-/m0/s1.
What are the key properties of (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide?
(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide has a molecular weight of 346.44 g/mol, XLogP of 0.41, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide is sourced from PubChem (CID 11725187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).