CS-0095928
(S)-4-((tert-Butoxycarbonyl)amino)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)butanoic acid
Manufacturer: ChemScene
CAS Number: 1004316-84-0
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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
C₁₈H₃₀N₄O₅S
Molecular Weight
414.52
Synonyms
4-[(2-Methylpropan-2-YL)oxycarbonylamino]-2-[[methyl-[(2-propan-2-YL-1,3-thiazol-4-YL)methyl]carbamoyl]amino]butanoic acid
SMILES
O=C(O)[C@@H](NC(N(C)CC1=CSC(C(C)C)=N1)=O)CCNC(OC(C)(C)C)=O
Tpsa
120.86
Logp
2.7759
H Acceptors
6
H Donors
3
Rotatable Bonds
8
Related Products
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: C₁₈H₃₀N₄O₅S
Molecular Weight: 414.52
Synonyms: 4-[(2-Methylpropan-2-YL)oxycarbonylamino]-2-[[methyl-[(2-propan-2-YL-1,3-thiazol-4-YL)methyl]carbamoyl]amino]butanoic acid
SMILES: O=C(O)[C@@H](NC(N(C)CC1=CSC(C(C)C)=N1)=O)CCNC(OC(C)(C)C)=O
Tpsa: 120.86
Logp: 2.7759
H Acceptors: 6
H Donors: 3
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:
C₁₈H₃₀N₄O₅S
Molecular Weight:
414.52
Synonyms:
4-[(2-Methylpropan-2-YL)oxycarbonylamino]-2-[[methyl-[(2-propan-2-YL-1,3-thiazol-4-YL)methyl]carbamoyl]amino]butanoic acid
SMILES:
O=C(O)[C@@H](NC(N(C)CC1=CSC(C(C)C)=N1)=O)CCNC(OC(C)(C)C)=O
Tpsa:
120.86
Logp:
2.7759
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD34468121
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₅NO₂
Molecular Weight: 311.42
Synonyms: None
SMILES: [C@H]1(COCC2=CC=CC=C2)OCCCN(CC3=CC=CC=C3)C1
Tpsa: 21.7
Logp: 3.4943
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD34468121
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅NO₂
Molecular Weight:
311.42
Synonyms:
None
SMILES:
[C@H]1(COCC2=CC=CC=C2)OCCCN(CC3=CC=CC=C3)C1
Tpsa:
21.7
Logp:
3.4943
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁F₂NO₂
Molecular Weight: 179.16
Synonyms: None
SMILES: O=C(C1CC(F)(F)C1)N(OC)C
Tpsa: 29.54
Logp: 1.0515
H Acceptors: 2
H Donors: 0
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:
C₇H₁₁F₂NO₂
Molecular Weight:
179.16
Synonyms:
None
SMILES:
O=C(C1CC(F)(F)C1)N(OC)C
Tpsa:
29.54
Logp:
1.0515
H Acceptors:
2
H Donors:
0
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: C₁₆H₁₇ClN₂O₄
Molecular Weight: 336.77
Synonyms: None
SMILES: CC(C)(C)OC(N1CN2C3=C(C=C2)C(C(O)=O)=C(Cl)C=C3C1)=O
Tpsa: 71.77
Logp: 3.7011
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇ClN₂O₄
Molecular Weight:
336.77
Synonyms:
None
SMILES:
CC(C)(C)OC(N1CN2C3=C(C=C2)C(C(O)=O)=C(Cl)C=C3C1)=O
Tpsa:
71.77
Logp:
3.7011
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1