AA87408
1610413-97-2 | 2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA87408
ChemicalName
2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
CasNumber
1610413-97-2
MolecularFormula
C34H54N4O10
MolecularWeight
678.8134
MdlNumber
MFCD28987368
Smiles
O=C(NCc1ccc(cc1)CC(=O)O)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
Complexity
1080
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
48
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
22
Xlogp3
3.6
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CatalogNumber: AA87408
ChemicalName: 2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
CasNumber: 1610413-97-2
MolecularFormula: C34H54N4O10
MolecularWeight: 678.8134
MdlNumber: MFCD28987368
Smiles: O=C(NCc1ccc(cc1)CC(=O)O)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
Complexity: 1080
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 48
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 22
Xlogp3: 3.6
CatalogNumber:
AA87408
ChemicalName:
2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
CasNumber:
1610413-97-2
MolecularFormula:
C34H54N4O10
MolecularWeight:
678.8134
MdlNumber:
MFCD28987368
Smiles:
O=C(NCc1ccc(cc1)CC(=O)O)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
Complexity:
1080
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
48
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
22
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc(OCC2CCCCC2)c2c(n1)[nH]cn2
Complexity: 271
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(OCC2CCCCC2)c2c(n1)[nH]cn2
Complexity:
271
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(F)c(c(c1)Cl)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(F)c(c(c1)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__