CS-0107292
Methyl 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)benzoate
Manufacturer: ChemScene
CAS Number: 2158322-16-6
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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
C₄₁H₄₃N₅O₈
Molecular Weight
733.81
Synonyms
Benzoic acid, 4-[[(2S,3S)-8-cyano-3-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-1-oxopropyl]amino]-2,3,4,5-tetrahydro-5-[(2-methoxy-1-naphthalenyl)methyl]-2-methyl-4-oxo-1H-1,5-benzodiazepin-1-yl]carbonyl]-, methyl ester
SMILES
O=C(OC)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
158.58
Logp
5.82898
H Acceptors
9
H Donors
1
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2158322-16-6 | Methyl 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)benzoate | 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: C₄₁H₄₃N₅O₈
Molecular Weight: 733.81
Synonyms: Benzoic acid, 4-[[(2S,3S)-8-cyano-3-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-1-oxopropyl]amino]-2,3,4,5-tetrahydro-5-[(2-methoxy-1-naphthalenyl)methyl]-2-methyl-4-oxo-1H-1,5-benzodiazepin-1-yl]carbonyl]-, methyl ester
SMILES: O=C(OC)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: 158.58
Logp: 5.82898
H Acceptors: 9
H Donors: 1
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:
C₄₁H₄₃N₅O₈
Molecular Weight:
733.81
Synonyms:
Benzoic acid, 4-[[(2S,3S)-8-cyano-3-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-1-oxopropyl]amino]-2,3,4,5-tetrahydro-5-[(2-methoxy-1-naphthalenyl)methyl]-2-methyl-4-oxo-1H-1,5-benzodiazepin-1-yl]carbonyl]-, methyl ester
SMILES:
O=C(OC)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:
158.58
Logp:
5.82898
H Acceptors:
9
H Donors:
1
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: C₁₁H₂₁NO₃
Molecular Weight: 215.29
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1CC(CO)CC1
Tpsa: 58.56
Logp: 1.6721
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₁NO₃
Molecular Weight:
215.29
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1CC(CO)CC1
Tpsa:
58.56
Logp:
1.6721
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD09702001
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrNO
Molecular Weight: 214.06
Synonyms: None
SMILES: NC1COC2=CC(Br)=CC=C12
Tpsa: 35.25
Logp: 1.8413
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD09702001
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BrNO
Molecular Weight:
214.06
Synonyms:
None
SMILES:
NC1COC2=CC(Br)=CC=C12
Tpsa:
35.25
Logp:
1.8413
H Acceptors:
2
H Donors:
1
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: 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