AV18392
113850-71-8 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AV18392
ChemicalName
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate
CasNumber
113850-71-8
MolecularFormula
C16H22INO5
MolecularWeight
435.254
MdlNumber
MFCD28991824
Smiles
COC(=O)[C@H](Cc1ccc(c(c1)I)OC)NC(=O)OC(C)(C)C
Complexity
410
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
3.5
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CatalogNumber: AV18392
ChemicalName: (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate
CasNumber: 113850-71-8
MolecularFormula: C16H22INO5
MolecularWeight: 435.254
MdlNumber: MFCD28991824
Smiles: COC(=O)[C@H](Cc1ccc(c(c1)I)OC)NC(=O)OC(C)(C)C
Complexity: 410
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 3.5
CatalogNumber:
AV18392
ChemicalName:
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate
CasNumber:
113850-71-8
MolecularFormula:
C16H22INO5
MolecularWeight:
435.254
MdlNumber:
MFCD28991824
Smiles:
COC(=O)[C@H](Cc1ccc(c(c1)I)OC)NC(=O)OC(C)(C)C
Complexity:
410
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(N2CCOCC2)c2c(n1)cc(s2)C
Complexity: 277
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(N2CCOCC2)c2c(n1)cc(s2)C
Complexity:
277
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCCCCCCCCCCCC(C)C
Complexity: 143
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 7.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCCCCCCCCCCCC(C)C
Complexity:
143
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
7.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(CCC(=O)O)ccc1OCc1ccccc1
Complexity: 312
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(CCC(=O)O)ccc1OCc1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9