(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide

C36H34N6O7 — CID 123951171

IUPAC(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
SMILESCC(NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](O)c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C36H34N6O7/c1-21(37-33(47)29(43)23-9-5-3-6-10-23)31(45)39-27-17-13-25(14-18-27)35-41-42-36(49-35)26-15-19-28(20-16-26)40-32(46)22(2)38-34(48)30(44)24-11-7-4-8-12-24/h3-22,29-30,43-44H,1-2H3,(H,37,47)(H,38,48)(H,39,45)(H,40,46)/t21-,22?,29-,30-/m0/s1
InChIKeyWLXLLFLXBDVMTP-XDDQPUBYSA-N
MW662.70 g/mol
LogP3.76
Rot. Bonds12

About (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide

(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide (PubChem CID 123951171) has the molecular formula C36H34N6O7 and a molecular weight of 662.70 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
PubChem CID123951171
Molecular FormulaC36H34N6O7
Molecular Weight662.70 g/mol
Exact Mass662.25
IUPAC Name(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
SMILESCC(NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](O)c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C36H34N6O7/c1-21(37-33(47)29(43)23-9-5-3-6-10-23)31(45)39-27-17-13-25(14-18-27)35-41-42-36(49-35)26-15-19-28(20-16-26)40-32(46)22(2)38-34(48)30(44)24-11-7-4-8-12-24/h3-22,29-30,43-44H,1-2H3,(H,37,47)(H,38,48)(H,39,45)(H,40,46)/t21-,22?,29-,30-/m0/s1
InChIKeyWLXLLFLXBDVMTP-XDDQPUBYSA-N
XLogP3.76
TPSA195.78 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.70
LogP ≤ 53.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide with MolForge

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Related Compounds

2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 172838448
(2S)-2-hydroxy-N-[(2S)-1-[4-[5-[4-[[(2S)-2-[[(2S)-2-hydroxy-2-phenylpropanoyl]amino]propanoyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]anilino]-1-oxopropan-2-yl]-2-phenylpropanamide
CID 70941588
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17297277
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
N-[4-[(2-hydroxy-2-phenylacetyl)amino]phenyl]propanamide
CID 110895297
3-methyl-N-[4-[5-[4-(3-methylbutanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]butanamide
CID 132809718
2-hydroxy-2-phenyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 110896061
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide (CID 123951171) is (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide is CC(NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@H](C)NC(=O)[C@@H](O)c4ccccc4)cc3)o2)cc1.
What is the InChIKey of (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
The InChIKey is WLXLLFLXBDVMTP-XDDQPUBYSA-N. The full InChI is InChI=1S/C36H34N6O7/c1-21(37-33(47)29(43)23-9-5-3-6-10-23)31(45)39-27-17-13-25(14-18-27)35-41-42-36(49-35)26-15-19-28(20-16-26)40-32(46)22(2)38-34(48)30(44)24-11-7-4-8-12-24/h3-22,29-30,43-44H,1-2H3,(H,37,47)(H,38,48)(H,39,45)(H,40,46)/t21-,22?,29-,30-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide?
(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide has a molecular weight of 662.70 g/mol, XLogP of 3.76, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide is sourced from PubChem (CID 123951171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).