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AI53703

61477-96-1 | (2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Manufacturer: A2B Chem

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CatalogNumber

AI53703

ChemicalName

(2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CasNumber

61477-96-1

MolecularFormula

C23H27N5O7S

MolecularWeight

517.5548

MdlNumber

MFCD26142884

Smiles

CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1

Complexity

982

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

4

HeavyAtomCount

36

HydrogenBondAcceptorCount

8

HydrogenBondDonorCount

3

RotatableBondCount

6

Xlogp3

0.5

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A2B Chem

AI53703

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CatalogNumber:
AI53703
ChemicalName:
(2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CasNumber:
61477-96-1
MolecularFormula:
C23H27N5O7S
MolecularWeight:
517.5548
MdlNumber:
MFCD26142884
Smiles:
CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1
Complexity:
982
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
0.5

Img

A2B Chem

AI53704

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1[C@@H]2[C@H]1CCC=CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__

Img

A2B Chem

AI53705

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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1N)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__

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A2B Chem

AI53706

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CatalogNumber:
AI53706
ChemicalName:
2-Hydroxybenzimidazole
CasNumber:
615-16-7
MolecularFormula:
C7H6N2O
MolecularWeight:
134.13534
MdlNumber:
MFCD00127894
Smiles:
O=c1[nH]c2c([nH]1)cccc2
Complexity:
142
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.1