(2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide

C27H31N3O5S — CID 162659869

IUPAC(2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C27H31N3O5S/c1-3-19(2)25(27(32)29-33)28-26(31)24(18-20-10-6-4-7-11-20)30-36(34,35)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,19,24-25,30,33H,3,18H2,1-2H3,(H,28,31)(H,29,32)/t19-,24-,25-/m0/s1
InChIKeyLNVQJLSVBUQEOZ-LQGLAIQGSA-N
MW509.63 g/mol
LogP3.28
Rot. Bonds11

About (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide

(2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide (PubChem CID 162659869) has the molecular formula C27H31N3O5S and a molecular weight of 509.63 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide
PubChem CID162659869
Molecular FormulaC27H31N3O5S
Molecular Weight509.63 g/mol
Exact Mass509.20
IUPAC Name(2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C27H31N3O5S/c1-3-19(2)25(27(32)29-33)28-26(31)24(18-20-10-6-4-7-11-20)30-36(34,35)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,19,24-25,30,33H,3,18H2,1-2H3,(H,28,31)(H,29,32)/t19-,24-,25-/m0/s1
InChIKeyLNVQJLSVBUQEOZ-LQGLAIQGSA-N
XLogP3.28
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide?
The IUPAC name of (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide (CID 162659869) is (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide?
The canonical SMILES for (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide is CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide?
The InChIKey is LNVQJLSVBUQEOZ-LQGLAIQGSA-N. The full InChI is InChI=1S/C27H31N3O5S/c1-3-19(2)25(27(32)29-33)28-26(31)24(18-20-10-6-4-7-11-20)30-36(34,35)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,19,24-25,30,33H,3,18H2,1-2H3,(H,28,31)(H,29,32)/t19-,24-,25-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide?
(2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide has a molecular weight of 509.63 g/mol, XLogP of 3.28, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-3-methyl-2-[[(2S)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoyl]amino]pentanamide is sourced from PubChem (CID 162659869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).