CS-0107296
4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2158322-19-9
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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
C₄₀H₄₁N₅O₈
Molecular Weight
719.78
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(N2[C@@H](C)[C@H](NC([C@@H](N(C(OC(C)(C)C)=O)C)C)=O)C(N(CC3=C4C=CC=CC4=CC=C3OC)C5=CC=C(C#N)C=C52)=O)=O)C=C1
Tpsa
169.58
Logp
5.74058
H Acceptors
8
H Donors
2
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2158322-19-9 | 4-((2S,3S)-3-((S)-2-((tert-Butoxycarbonyl)(methyl)amino)propanamido)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)benzoic acid | A2B Chem | -- |
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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: C₄₀H₄₁N₅O₈
Molecular Weight: 719.78
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(N2[C@@H](C)[C@H](NC([C@@H](N(C(OC(C)(C)C)=O)C)C)=O)C(N(CC3=C4C=CC=CC4=CC=C3OC)C5=CC=C(C#N)C=C52)=O)=O)C=C1
Tpsa: 169.58
Logp: 5.74058
H Acceptors: 8
H Donors: 2
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:
C₄₀H₄₁N₅O₈
Molecular Weight:
719.78
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(N2[C@@H](C)[C@H](NC([C@@H](N(C(OC(C)(C)C)=O)C)C)=O)C(N(CC3=C4C=CC=CC4=CC=C3OC)C5=CC=C(C#N)C=C52)=O)=O)C=C1
Tpsa:
169.58
Logp:
5.74058
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
8
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂N₄
Molecular Weight: 152.20
Synonyms: 4-[1,2,4]TRIAZOL-1-YL-PIPERIDINE
SMILES: C1(N2N=CN=C2)CCNCC1
Tpsa: 42.74
Logp: 0.2026
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂N₄
Molecular Weight:
152.20
Synonyms:
4-[1,2,4]TRIAZOL-1-YL-PIPERIDINE
SMILES:
C1(N2N=CN=C2)CCNCC1
Tpsa:
42.74
Logp:
0.2026
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 96%
MDL No: MFCD00190648
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈F₃NO₂
Molecular Weight: 171.12
Synonyms: None
SMILES: NC(CCC(F)(F)F)C(O)=O
Tpsa: 63.32
Logp: 0.7408
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
96%
MDL No:
MFCD00190648
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈F₃NO₂
Molecular Weight:
171.12
Synonyms:
None
SMILES:
NC(CCC(F)(F)F)C(O)=O
Tpsa:
63.32
Logp:
0.7408
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD09055365
Storage: RT, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₁NO₂
Molecular Weight: 117.15
Synonyms: 3-AMINO-2,2-DIMETHYL-PROPANOIC ACID
SMILES: O=C(O)C(C)(C)CN
Tpsa: 63.32
Logp: 0.0559
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD09055365
Storage:
RT, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₁NO₂
Molecular Weight:
117.15
Synonyms:
3-AMINO-2,2-DIMETHYL-PROPANOIC ACID
SMILES:
O=C(O)C(C)(C)CN
Tpsa:
63.32
Logp:
0.0559
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2