AE11554
1210348-34-7 | tert-Butyl ((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate oxalate
Manufacturer: A2B Chem
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CatalogNumber
AE11554
ChemicalName
tert-Butyl ((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate oxalate
CasNumber
1210348-34-7
MolecularFormula
C16H29N3O7
MolecularWeight
375.4174
MdlNumber
MFCD28501698
Smiles
OC(=O)C(=O)O.O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Complexity
435
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
26
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
5
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CatalogNumber: AE11554
ChemicalName: tert-Butyl ((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate oxalate
CasNumber: 1210348-34-7
MolecularFormula: C16H29N3O7
MolecularWeight: 375.4174
MdlNumber: MFCD28501698
Smiles: OC(=O)C(=O)O.O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Complexity: 435
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 5
CatalogNumber:
AE11554
ChemicalName:
tert-Butyl ((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate oxalate
CasNumber:
1210348-34-7
MolecularFormula:
C16H29N3O7
MolecularWeight:
375.4174
MdlNumber:
MFCD28501698
Smiles:
OC(=O)C(=O)O.O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Complexity:
435
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C(=NNc2c(C)[nH]n(c2=O)c2ccc(c(c2)C)C)C=CC=C1c1cccc(c1)c1n[nH]nn1
Complexity: __
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Smiles:
O=C1C(=NNc2c(C)[nH]n(c2=O)c2ccc(c(c2)C)C)C=CC=C1c1cccc(c1)c1n[nH]nn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: COC(=O)CC(CC)(C)C
Complexity: __
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ChemicalName:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)CC(CC)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
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__
CatalogNumber: AE11557
ChemicalName: VU 0357017 Hydrochloride
CasNumber: 1135242-13-5
MolecularFormula: C18H28ClN3O3
MolecularWeight: 369.8862
MdlNumber: MFCD17215959
Smiles: CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C.Cl
Complexity: 408
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 7
CatalogNumber:
AE11557
ChemicalName:
VU 0357017 Hydrochloride
CasNumber:
1135242-13-5
MolecularFormula:
C18H28ClN3O3
MolecularWeight:
369.8862
MdlNumber:
MFCD17215959
Smiles:
CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C.Cl
Complexity:
408
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
7