AA91573
173334-58-2 | (2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)
Manufacturer: A2B Chem
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CatalogNumber
AA91573
ChemicalName
(2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)
CasNumber
173334-58-2
MolecularFormula
C64H110N6O16
MolecularWeight
1219.5888000000004
MdlNumber
MFCD10566724
Smiles
OC(=O)/C=C/C(=O)O.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
Complexity
836
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
8
DefinedBondStereocenterCount
1
HeavyAtomCount
86
HydrogenBondAcceptorCount
18
HydrogenBondDonorCount
10
RotatableBondCount
40
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CatalogNumber: AA91573
ChemicalName: (2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)
CasNumber: 173334-58-2
MolecularFormula: C64H110N6O16
MolecularWeight: 1219.5888000000004
MdlNumber: MFCD10566724
Smiles: OC(=O)/C=C/C(=O)O.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
Complexity: 836
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 8
DefinedBondStereocenterCount: 1
HeavyAtomCount: 86
HydrogenBondAcceptorCount: 18
HydrogenBondDonorCount: 10
RotatableBondCount: 40
CatalogNumber:
AA91573
ChemicalName:
(2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)
CasNumber:
173334-58-2
MolecularFormula:
C64H110N6O16
MolecularWeight:
1219.5888000000004
MdlNumber:
MFCD10566724
Smiles:
OC(=O)/C=C/C(=O)O.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
Complexity:
836
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
8
DefinedBondStereocenterCount:
1
HeavyAtomCount:
86
HydrogenBondAcceptorCount:
18
HydrogenBondDonorCount:
10
RotatableBondCount:
40
CatalogNumber: AA91574
ChemicalName: 5-Amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide fumarate
CasNumber: 173334-57-1
MolecularFormula: C30H53N3O6
MolecularWeight: 551.7583
MdlNumber: MFCD09839018
Smiles: COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
Complexity: __
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CatalogNumber:
AA91574
ChemicalName:
5-Amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide fumarate
CasNumber:
173334-57-1
MolecularFormula:
C30H53N3O6
MolecularWeight:
551.7583
MdlNumber:
MFCD09839018
Smiles:
COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: CC([Si](OC[C@H]1OC=C[C@@H]1O[Si](C(C)(C)C)(C)C)(C)C)(C)C
Complexity: __
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__
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Smiles:
CC([Si](OC[C@H]1OC=C[C@@H]1O[Si](C(C)(C)C)(C)C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
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ChemicalName: __
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Smiles: Cc1onc2c1c(n[nH]c2=O)c1ccccc1
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Smiles:
Cc1onc2c1c(n[nH]c2=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__