CS-1003987
(4-Nitrophenyl)methyl (4R,5S,6S)-3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Manufacturer: ChemScene
CAS Number: 491878-07-0
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₀H₃₄N₆O₁₂S₂
Molecular Weight
734.75
Synonyms
None
SMILES
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2S[C@@H]4CN(C(OCC5=CC=C(N(=O)=O)C=C5)=O)[C@H](CNS(N)(=O)=O)C4)[H]
Tpsa
254.85
Logp
1.9213
H Acceptors
13
H Donors
3
Rotatable Bonds
13
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₃₄N₆O₁₂S₂
Molecular Weight: 734.75
Synonyms: None
SMILES: C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2S[C@@H]4CN(C(OCC5=CC=C(N(=O)=O)C=C5)=O)[C@H](CNS(N)(=O)=O)C4)[H]
Tpsa: 254.85
Logp: 1.9213
H Acceptors: 13
H Donors: 3
Rotatable Bonds: 13
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₄N₆O₁₂S₂
Molecular Weight:
734.75
Synonyms:
None
SMILES:
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2S[C@@H]4CN(C(OCC5=CC=C(N(=O)=O)C=C5)=O)[C@H](CNS(N)(=O)=O)C4)[H]
Tpsa:
254.85
Logp:
1.9213
H Acceptors:
13
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₈O₃
Molecular Weight: 188.18
Synonyms: None
SMILES: O=C1C=CC(=O)C=2C(OC)=CC=CC12
Tpsa: 43.37
Logp: 1.6304
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈O₃
Molecular Weight:
188.18
Synonyms:
None
SMILES:
O=C1C=CC(=O)C=2C(OC)=CC=CC12
Tpsa:
43.37
Logp:
1.6304
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄O₆
Molecular Weight: 290.27
Synonyms: None
SMILES: OC1=C2C(O[C@@H](CC2)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C1
Tpsa: 110.38
Logp: 2.2809
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄O₆
Molecular Weight:
290.27
Synonyms:
None
SMILES:
OC1=C2C(O[C@@H](CC2)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C1
Tpsa:
110.38
Logp:
2.2809
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₅₀O₉Si₈
Molecular Weight: 611.25
Synonyms: None
SMILES: O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
Tpsa: 105.07
Logp: 4.7016
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₅₀O₉Si₈
Molecular Weight:
611.25
Synonyms:
None
SMILES:
O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
Tpsa:
105.07
Logp:
4.7016
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
14