AA18812
114559-25-0 | H-Dap(Boc)-OMe HCl
Manufacturer: A2B Chem
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CatalogNumber
AA18812
ChemicalName
H-Dap(Boc)-OMe HCl
CasNumber
114559-25-0
MolecularFormula
C9H19ClN2O4
MolecularWeight
254.7112
MdlNumber
MFCD00798684
Smiles
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N.Cl
Complexity
235
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
6
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CatalogNumber: AA18812
ChemicalName: H-Dap(Boc)-OMe HCl
CasNumber: 114559-25-0
MolecularFormula: C9H19ClN2O4
MolecularWeight: 254.7112
MdlNumber: MFCD00798684
Smiles: COC(=O)[C@H](CNC(=O)OC(C)(C)C)N.Cl
Complexity: 235
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
CatalogNumber:
AA18812
ChemicalName:
H-Dap(Boc)-OMe HCl
CasNumber:
114559-25-0
MolecularFormula:
C9H19ClN2O4
MolecularWeight:
254.7112
MdlNumber:
MFCD00798684
Smiles:
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N.Cl
Complexity:
235
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@@H]1C[C@@H]([C@@H](O1)n1cc(C)c(=O)[nH]c1=O)O
Complexity: __
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Smiles:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@@H]1C[C@@H]([C@@H](O1)n1cc(C)c(=O)[nH]c1=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: CC[C@@H]([C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CO)CC(C)C)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)C(C)C)CC(=O)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CO)C
Complexity: __
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CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC[C@@H]([C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CO)CC(C)C)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)C(C)C)CC(=O)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CO)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
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MolecularFormula: __
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Smiles: OCC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)CO
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OCC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)CO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__