CS-0013378
(6R,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate
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
C₃₇H₄₇N₃O₆
Molecular Weight
629.79
Synonyms
None
SMILES
O=C([C@@H](NC([C@H](CC(C)C)NC([C@H](NC(OC(C)(C)C)=O)CCC1=CC=CC=C1)=O)=O)CC2=CC=CC=C2)OCC3=CC=CC=C3
Tpsa
122.83
Logp
5.5143
H Acceptors
6
H Donors
3
Rotatable Bonds
15
Other Options
...
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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: C₃₇H₄₇N₃O₆
Molecular Weight: 629.79
Synonyms: None
SMILES: O=C([C@@H](NC([C@H](CC(C)C)NC([C@H](NC(OC(C)(C)C)=O)CCC1=CC=CC=C1)=O)=O)CC2=CC=CC=C2)OCC3=CC=CC=C3
Tpsa: 122.83
Logp: 5.5143
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₇N₃O₆
Molecular Weight:
629.79
Synonyms:
None
SMILES:
O=C([C@@H](NC([C@H](CC(C)C)NC([C@H](NC(OC(C)(C)C)=O)CCC1=CC=CC=C1)=O)=O)CC2=CC=CC=C2)OCC3=CC=CC=C3
Tpsa:
122.83
Logp:
5.5143
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₄₀F₃N₃O₆
Molecular Weight: 643.69
Synonyms: None
SMILES: O=C([C@@H](NC([C@H](CC(C)C)NC([C@H](N)CCC1=CC=CC=C1)=O)=O)CC2=CC=CC=C2)OCC3=CC=CC=C3.O=C(O)C(F)(F)F
Tpsa: 147.82
Logp: 4.5816
H Acceptors: 6
H Donors: 4
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:
C₃₄H₄₀F₃N₃O₆
Molecular Weight:
643.69
Synonyms:
None
SMILES:
O=C([C@@H](NC([C@H](CC(C)C)NC([C@H](N)CCC1=CC=CC=C1)=O)=O)CC2=CC=CC=C2)OCC3=CC=CC=C3.O=C(O)C(F)(F)F
Tpsa:
147.82
Logp:
4.5816
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
14
Purity: 98%
MDL No: MFCD00801039
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇NO₂
Molecular Weight: 255.31
Synonyms: Benzyl 3-phenyl-L-alaninate
SMILES: N[C@@H](CC1=CC=CC=C1)C(OCC2=CC=CC=C2)=O
Tpsa: 52.32
Logp: 2.2998
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD00801039
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇NO₂
Molecular Weight:
255.31
Synonyms:
Benzyl 3-phenyl-L-alaninate
SMILES:
N[C@@H](CC1=CC=CC=C1)C(OCC2=CC=CC=C2)=O
Tpsa:
52.32
Logp:
2.2998
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD30533153
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₆N₂O₅
Molecular Weight: 468.59
Synonyms: None
SMILES: O=C([C@@H](NC([C@@H](CC(C)C)NC(OC(C)(C)C)=O)=O)CC1=CC=CC=C1)OCC2=CC=CC=C2
Tpsa: 93.73
Logp: 4.3967
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
MFCD30533153
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₆N₂O₅
Molecular Weight:
468.59
Synonyms:
None
SMILES:
O=C([C@@H](NC([C@@H](CC(C)C)NC(OC(C)(C)C)=O)=O)CC1=CC=CC=C1)OCC2=CC=CC=C2
Tpsa:
93.73
Logp:
4.3967
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
10