AB71451
76880-29-0 | Boc-cys(npys)-oh
Manufacturer: A2B Chem
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CatalogNumber
AB71451
ChemicalName
Boc-cys(npys)-oh
CasNumber
76880-29-0
MolecularFormula
C13H17N3O6S2
MolecularWeight
375.42058
MdlNumber
MFCD00153301
Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)CSSc1ncccc1N(=O)=O
Complexity
466
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
1.9
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CatalogNumber: AB71451
ChemicalName: Boc-cys(npys)-oh
CasNumber: 76880-29-0
MolecularFormula: C13H17N3O6S2
MolecularWeight: 375.42058
MdlNumber: MFCD00153301
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)CSSc1ncccc1N(=O)=O
Complexity: 466
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 1.9
CatalogNumber:
AB71451
ChemicalName:
Boc-cys(npys)-oh
CasNumber:
76880-29-0
MolecularFormula:
C13H17N3O6S2
MolecularWeight:
375.42058
MdlNumber:
MFCD00153301
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CSSc1ncccc1N(=O)=O
Complexity:
466
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
1.9
CatalogNumber: AB71452
ChemicalName: Boc-Cys(stbu)-OH
CasNumber: 30044-61-2
MolecularFormula: C12H23NO4S2
MolecularWeight: 309.44531999999987
MdlNumber: MFCD00084687
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)CSSC(C)(C)C
Complexity: 321
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 2.2
CatalogNumber:
AB71452
ChemicalName:
Boc-Cys(stbu)-OH
CasNumber:
30044-61-2
MolecularFormula:
C12H23NO4S2
MolecularWeight:
309.44531999999987
MdlNumber:
MFCD00084687
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CSSC(C)(C)C
Complexity:
321
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1cccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1cccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1ccc(cc1)F)NC(=O)OC(C)(C)C
Complexity: 346
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1ccc(cc1)F)NC(=O)OC(C)(C)C
Complexity:
346
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9