AB47642
82009-34-5 | (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47642
ChemicalName
(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid
CasNumber
82009-34-5
MolecularFormula
C16H26N2O5S
MolecularWeight
358.453
MdlNumber
MFCD00867379
Smiles
OC(=O)[C@@H](CSCCCC/C=C(/C(=O)O)NC(=O)[C@H]1CC1(C)C)N
Complexity
519
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
11
Xlogp3
-1
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CatalogNumber: AB47642
ChemicalName: (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid
CasNumber: 82009-34-5
MolecularFormula: C16H26N2O5S
MolecularWeight: 358.453
MdlNumber: MFCD00867379
Smiles: OC(=O)[C@@H](CSCCCC/C=C(/C(=O)O)NC(=O)[C@H]1CC1(C)C)N
Complexity: 519
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 11
Xlogp3: -1
CatalogNumber:
AB47642
ChemicalName:
(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid
CasNumber:
82009-34-5
MolecularFormula:
C16H26N2O5S
MolecularWeight:
358.453
MdlNumber:
MFCD00867379
Smiles:
OC(=O)[C@@H](CSCCCC/C=C(/C(=O)O)NC(=O)[C@H]1CC1(C)C)N
Complexity:
519
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
11
Xlogp3:
-1
CatalogNumber: AB47643
ChemicalName: 6,6'-Dimethyl-2,2'-dipyridyl
CasNumber: 4411-80-7
MolecularFormula: C12H12N2
MolecularWeight: 184.2371
MdlNumber: MFCD00059776
Smiles: Cc1cccc(n1)c1cccc(n1)C
Complexity: 161
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB47643
ChemicalName:
6,6'-Dimethyl-2,2'-dipyridyl
CasNumber:
4411-80-7
MolecularFormula:
C12H12N2
MolecularWeight:
184.2371
MdlNumber:
MFCD00059776
Smiles:
Cc1cccc(n1)c1cccc(n1)C
Complexity:
161
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc2c1CCC(=O)N2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc2c1CCC(=O)N2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.CNN
Complexity: 84.1
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.CNN
Complexity:
84.1
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__