AE13045
103614-40-0 | N-Me-Ala-OtBu HCl
Manufacturer: A2B Chem
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CatalogNumber
AE13045
ChemicalName
N-Me-Ala-OtBu HCl
CasNumber
103614-40-0
MolecularFormula
C8H18ClNO2
MolecularWeight
195.687
MdlNumber
MFCD08457605
Smiles
CN[C@H](C(=O)OC(C)(C)C)C.Cl
Complexity
138
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AE13045
ChemicalName: N-Me-Ala-OtBu HCl
CasNumber: 103614-40-0
MolecularFormula: C8H18ClNO2
MolecularWeight: 195.687
MdlNumber: MFCD08457605
Smiles: CN[C@H](C(=O)OC(C)(C)C)C.Cl
Complexity: 138
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AE13045
ChemicalName:
N-Me-Ala-OtBu HCl
CasNumber:
103614-40-0
MolecularFormula:
C8H18ClNO2
MolecularWeight:
195.687
MdlNumber:
MFCD08457605
Smiles:
CN[C@H](C(=O)OC(C)(C)C)C.Cl
Complexity:
138
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
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Smiles: NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](C(=O)N)Cc1ccc2c(c1)cccc2)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2
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Smiles:
NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](C(=O)N)Cc1ccc2c(c1)cccc2)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2
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Smiles: CCNC(=O)C1CCCN1C(=O)C(CCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CO)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.C(=O)(C(F)(F)F)O
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Smiles:
CCNC(=O)C1CCCN1C(=O)C(CCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CO)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.C(=O)(C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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