AB56049
57105-50-7 | N-(3-Indolylacetyl)-l-phenylalanine
Manufacturer: A2B Chem
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CatalogNumber
AB56049
ChemicalName
N-(3-Indolylacetyl)-l-phenylalanine
CasNumber
57105-50-7
MolecularFormula
C19H18N2O3
MolecularWeight
322.3578
MdlNumber
MFCD00075336
Smiles
O=C(Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)Cc1ccccc1
Complexity
448
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
2
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CatalogNumber: AB56049
ChemicalName: N-(3-Indolylacetyl)-l-phenylalanine
CasNumber: 57105-50-7
MolecularFormula: C19H18N2O3
MolecularWeight: 322.3578
MdlNumber: MFCD00075336
Smiles: O=C(Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)Cc1ccccc1
Complexity: 448
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AB56049
ChemicalName:
N-(3-Indolylacetyl)-l-phenylalanine
CasNumber:
57105-50-7
MolecularFormula:
C19H18N2O3
MolecularWeight:
322.3578
MdlNumber:
MFCD00075336
Smiles:
O=C(Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)Cc1ccccc1
Complexity:
448
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
2
CatalogNumber: AB56050
ChemicalName: (S)-2-(2-Oxopyrrolidin-1-yl)propanoic acid
CasNumber: 96219-55-5
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD16879061
Smiles: OC(=O)[C@@H](N1CCCC1=O)C
Complexity: 190
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB56050
ChemicalName:
(S)-2-(2-Oxopyrrolidin-1-yl)propanoic acid
CasNumber:
96219-55-5
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD16879061
Smiles:
OC(=O)[C@@H](N1CCCC1=O)C
Complexity:
190
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: AB56051
ChemicalName: (2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber: 22161-81-5
MolecularFormula: C16H14O3
MolecularWeight: 254.2806
MdlNumber: MFCD00673316
Smiles: OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity: 331
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AB56051
ChemicalName:
(2S)-2-(3-benzoylphenyl)propanoic acid
CasNumber:
22161-81-5
MolecularFormula:
C16H14O3
MolecularWeight:
254.2806
MdlNumber:
MFCD00673316
Smiles:
OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C
Complexity:
331
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
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Smiles: O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Fc1cccc(c1)[C@@H]1CCCN1
Complexity: __
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Smiles:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Fc1cccc(c1)[C@@H]1CCCN1
Complexity:
__
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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Xlogp3:
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