AC94430
70-18-8 | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC94430
ChemicalName
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
CasNumber
70-18-8
MolecularFormula
C10H17N3O6S
MolecularWeight
307.3235
MdlNumber
MFCD00065939
Smiles
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
NscNumber
758199
Complexity
389
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
20
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
6
RotatableBondCount
9
Xlogp3
-4.5
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CatalogNumber: AC94430
ChemicalName: (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
CasNumber: 70-18-8
MolecularFormula: C10H17N3O6S
MolecularWeight: 307.3235
MdlNumber: MFCD00065939
Smiles: SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
NscNumber: 758199
Complexity: 389
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 6
RotatableBondCount: 9
Xlogp3: -4.5
CatalogNumber:
AC94430
ChemicalName:
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
CasNumber:
70-18-8
MolecularFormula:
C10H17N3O6S
MolecularWeight:
307.3235
MdlNumber:
MFCD00065939
Smiles:
SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
NscNumber:
758199
Complexity:
389
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
6
RotatableBondCount:
9
Xlogp3:
-4.5
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Smiles: N#CC(=C(SC)SC)S(=O)(=O)c1ccc(cc1)C
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N#CC(=C(SC)SC)S(=O)(=O)c1ccc(cc1)C
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Smiles: CC(=C)Cc1cccc(c1)F
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Smiles:
CC(=C)Cc1cccc(c1)F
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)OC(=O)C(c1ccc(cc1)Oc1ccc(cc1)OC)C(=O)O
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)OC(=O)C(c1ccc(cc1)Oc1ccc(cc1)OC)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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