AB45181
239463-85-5 | 5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
Manufacturer: A2B Chem
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CatalogNumber
AB45181
ChemicalName
5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
CasNumber
239463-85-5
MolecularFormula
C26H31N3O8
MolecularWeight
513.5396
MdlNumber
MFCD16038449
Smiles
O[C@H]([C@H](C(=O)O)O)C(=O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity
671
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
37
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
5
RotatableBondCount
11
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CatalogNumber: AB45181
ChemicalName: 5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
CasNumber: 239463-85-5
MolecularFormula: C26H31N3O8
MolecularWeight: 513.5396
MdlNumber: MFCD16038449
Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity: 671
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 5
RotatableBondCount: 11
CatalogNumber:
AB45181
ChemicalName:
5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
CasNumber:
239463-85-5
MolecularFormula:
C26H31N3O8
MolecularWeight:
513.5396
MdlNumber:
MFCD16038449
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity:
671
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
5
RotatableBondCount:
11
CatalogNumber: AB45182
ChemicalName: 5-(4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole
CasNumber: 124750-51-2
MolecularFormula: C33H25BrN4
MolecularWeight: 557.4824
MdlNumber: MFCD00665221
Smiles: BrCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: 660
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 7
CatalogNumber:
AB45182
ChemicalName:
5-(4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole
CasNumber:
124750-51-2
MolecularFormula:
C33H25BrN4
MolecularWeight:
557.4824
MdlNumber:
MFCD00665221
Smiles:
BrCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
660
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
7
CatalogNumber: AB45183
ChemicalName: 5-Acetylvaleric acid
CasNumber: 3128-07-2
MolecularFormula: C7H12O3
MolecularWeight: 144.16837999999998
MdlNumber: MFCD00051479
Smiles: CC(=O)CCCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB45183
ChemicalName:
5-Acetylvaleric acid
CasNumber:
3128-07-2
MolecularFormula:
C7H12O3
MolecularWeight:
144.16837999999998
MdlNumber:
MFCD00051479
Smiles:
CC(=O)CCCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB45184
ChemicalName: 5-Amino-1,2,3-thiadiazole
CasNumber: 4100-41-8
MolecularFormula: C2H3N3S
MolecularWeight: 101.1303
MdlNumber: MFCD00082810
Smiles: Nc1cnns1
Complexity: 48.1
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AB45184
ChemicalName:
5-Amino-1,2,3-thiadiazole
CasNumber:
4100-41-8
MolecularFormula:
C2H3N3S
MolecularWeight:
101.1303
MdlNumber:
MFCD00082810
Smiles:
Nc1cnns1
Complexity:
48.1
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__