CS-1001849
(4R,5S,6S)-3-[[(3S,5S)-5-[[[3-(Ethoxycarbonyl)phenyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1633046-82-8
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₄H₂₉N₃O₇S
Molecular Weight
503.57
Synonyms
None
SMILES
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(OCC)=O)=CC=C4)=O)NC3)[H]
Tpsa
145.27
Logp
1.4192
H Acceptors
8
H Donors
4
Rotatable Bonds
8
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₉N₃O₇S
Molecular Weight: 503.57
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(OCC)=O)=CC=C4)=O)NC3)[H]
Tpsa: 145.27
Logp: 1.4192
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₉N₃O₇S
Molecular Weight:
503.57
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(OCC)=O)=CC=C4)=O)NC3)[H]
Tpsa:
145.27
Logp:
1.4192
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₇N₅O₂
Molecular Weight: 417.50
Synonyms: None
SMILES: C(N)(=O)C1=C2N([C@@H](CCN2)[C@H]3CCNCC3)N=C1C4=CC=C(OC5=CC=CC=C5)C=C4
Tpsa: 94.2
Logp: 3.7976
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₇N₅O₂
Molecular Weight:
417.50
Synonyms:
None
SMILES:
C(N)(=O)C1=C2N([C@@H](CCN2)[C@H]3CCNCC3)N=C1C4=CC=C(OC5=CC=CC=C5)C=C4
Tpsa:
94.2
Logp:
3.7976
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₇F₂NO₃
Molecular Weight: 499.55
Synonyms: None
SMILES: C(C[C@@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(OCC5=CC=CC=C5)C=C4
Tpsa: 49.77
Logp: 6.7617
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₇F₂NO₃
Molecular Weight:
499.55
Synonyms:
None
SMILES:
C(C[C@@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(OCC5=CC=CC=C5)C=C4
Tpsa:
49.77
Logp:
6.7617
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₅₁NO₅
Molecular Weight: 517.74
Synonyms: None
SMILES: O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa: 95.86
Logp: 5.47
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₅₁NO₅
Molecular Weight:
517.74
Synonyms:
None
SMILES:
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa:
95.86
Logp:
5.47
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11