(2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

C17H18N2O5S — CID 59910497

IUPAC(2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18N2O5S/c18-16(20)11-10-15(17(21)22)19-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)(H,21,22)/t15-/m0/s1
InChIKeyBTMLCSYAKDMZTR-HNNXBMFYSA-N
MW362.41 g/mol
LogP1.35
Rot. Bonds8

About (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

(2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (PubChem CID 59910497) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
PubChem CID59910497
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18N2O5S/c18-16(20)11-10-15(17(21)22)19-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)(H,21,22)/t15-/m0/s1
InChIKeyBTMLCSYAKDMZTR-HNNXBMFYSA-N
XLogP1.35
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Phenylphenyl)sulfonylamino]pentanedioic acid
CID 644601
N-((4-Methylphenyl)sulfonyl)-L-phenylalanine
CID 99327
Mmp-2/mmp-9 inhibitor i
CID 10667540
Biphenylsulfonamide carboxylate, 9
CID 24901479
2-[[1,1'-Biphenyl]-4-sulfonamido]-3-methylbutanoic acid
CID 24936382
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
CID 309599
72 kDa type IV collagenase
CID 4222
N-(biphenyl-4-ylsulfonyl)-D-leucine
CID 25271580
(2R)-2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid
CID 7257957
Biphenylsulfonamide carboxylate, 2
CID 24901472
Biphenylsulfonamide carboxylate, 11
CID 24901481
5-(Benzylamino)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
CID 168276868

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (CID 59910497) is (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is NC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is BTMLCSYAKDMZTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-16(20)11-10-15(17(21)22)19-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 362.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 59910497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).