CS-0566491
(8S,14R,17R)-17-(2-(Allyloxy)-2-oxoethyl)-8-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-3,6,9,12,15-pentaoxo-14-((tritylthio)methyl)-2-oxa-4,7,10,13,16-pentaazaoctadecan-18-oic acid
Manufacturer: ChemScene
CAS Number: None
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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
C₅₄H₅₇N₅O₁₀S
Molecular Weight
968.12
Synonyms
None
SMILES
O=C(O)[C@H](NC([C@@H](NC(CNC([C@@H](NC(CNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)=O)[C@H](CC)C)=O)=O)CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O)CC(OCC=C)=O
Tpsa
218.33
Logp
6.071
H Acceptors
10
H Donors
6
Rotatable Bonds
24
Other Options
...
SAFETY INFORMATION
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: C₅₄H₅₇N₅O₁₀S
Molecular Weight: 968.12
Synonyms: None
SMILES: O=C(O)[C@H](NC([C@@H](NC(CNC([C@@H](NC(CNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)=O)[C@H](CC)C)=O)=O)CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O)CC(OCC=C)=O
Tpsa: 218.33
Logp: 6.071
H Acceptors: 10
H Donors: 6
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₅₇N₅O₁₀S
Molecular Weight:
968.12
Synonyms:
None
SMILES:
O=C(O)[C@H](NC([C@@H](NC(CNC([C@@H](NC(CNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)=O)[C@H](CC)C)=O)=O)CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O)CC(OCC=C)=O
Tpsa:
218.33
Logp:
6.071
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
24
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄N₂O₂
Molecular Weight: 206.24
Synonyms: None
SMILES: COC1=C(C2CC2)C=C(/N=C/OC)C=N1
Tpsa: 43.71
Logp: 2.2738
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄N₂O₂
Molecular Weight:
206.24
Synonyms:
None
SMILES:
COC1=C(C2CC2)C=C(/N=C/OC)C=N1
Tpsa:
43.71
Logp:
2.2738
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅N₃
Molecular Weight: 189.26
Synonyms: None
SMILES: NC1=CC(C2CNCC3C2)=C3C(N)=C1
Tpsa: 64.07
Logp: 1.0251
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅N₃
Molecular Weight:
189.26
Synonyms:
None
SMILES:
NC1=CC(C2CNCC3C2)=C3C(N)=C1
Tpsa:
64.07
Logp:
1.0251
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₀N₂O₇S
Molecular Weight: 740.86
Synonyms: None
SMILES: O=C(OCC=C)C[C@H](C(O)=O)NC([C@@H](NC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O
Tpsa: 131.03
Logp: 7.3077
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₀N₂O₇S
Molecular Weight:
740.86
Synonyms:
None
SMILES:
O=C(OCC=C)C[C@H](C(O)=O)NC([C@@H](NC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O
Tpsa:
131.03
Logp:
7.3077
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
16