AA85734
163680-77-1 | (2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AA85734
ChemicalName
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid
CasNumber
163680-77-1
MolecularFormula
C17H19FN2O7S
MolecularWeight
414.4054
MdlNumber
MFCD00913262
Smiles
CS(=O)(=O)O.OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F
NscNumber
759831
Complexity
695
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AA85734
ChemicalName: (2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid
CasNumber: 163680-77-1
MolecularFormula: C17H19FN2O7S
MolecularWeight: 414.4054
MdlNumber: MFCD00913262
Smiles: CS(=O)(=O)O.OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F
NscNumber: 759831
Complexity: 695
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AA85734
ChemicalName:
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid
CasNumber:
163680-77-1
MolecularFormula:
C17H19FN2O7S
MolecularWeight:
414.4054
MdlNumber:
MFCD00913262
Smiles:
CS(=O)(=O)O.OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F
NscNumber:
759831
Complexity:
695
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
2
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Smiles: OB(c1ccc(cc1)COCc1ccccc1)O
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OB(c1ccc(cc1)COCc1ccccc1)O
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Smiles: N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)c1ccccc1.Cl
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N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)c1ccccc1.Cl
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Smiles: O=C([C@H](Cc1cc(I)c(c(c1)I)O)NC(=O)OC(C)(C)C)ON1C(=O)CCC1=O
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Smiles:
O=C([C@H](Cc1cc(I)c(c(c1)I)O)NC(=O)OC(C)(C)C)ON1C(=O)CCC1=O
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Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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