AA82025
159857-79-1 | Val-cit-pab-oh
Manufacturer: A2B Chem
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CatalogNumber
AA82025
ChemicalName
Val-cit-pab-oh
CasNumber
159857-79-1
MolecularFormula
C18H29N5O4
MolecularWeight
379.454
MdlNumber
MFCD22381209
Smiles
OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCNC(=O)N
Complexity
492
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
6
RotatableBondCount
10
Xlogp3
-0.5
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CatalogNumber: AA82025
ChemicalName: Val-cit-pab-oh
CasNumber: 159857-79-1
MolecularFormula: C18H29N5O4
MolecularWeight: 379.454
MdlNumber: MFCD22381209
Smiles: OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCNC(=O)N
Complexity: 492
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 6
RotatableBondCount: 10
Xlogp3: -0.5
CatalogNumber:
AA82025
ChemicalName:
Val-cit-pab-oh
CasNumber:
159857-79-1
MolecularFormula:
C18H29N5O4
MolecularWeight:
379.454
MdlNumber:
MFCD22381209
Smiles:
OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCNC(=O)N
Complexity:
492
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
6
RotatableBondCount:
10
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=COCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=COCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__