CS-0179400
(S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-Hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-2-((S)-2-(3-mercapto-N-methylpropanamido)-3-methylbutanamido)-N,3-dimethylbutanamide
Manufacturer: ChemScene
CAS Number: 1678518-31-4
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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
C₄₂H₇₁N₅O₈S
Molecular Weight
806.11
Synonyms
None
SMILES
O[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C)C(CCS)=O)=O)=O)=O)OC)=O
Tpsa
157.82
Logp
4.0887
H Acceptors
9
H Donors
4
Rotatable Bonds
22
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₄₂H₇₁N₅O₈S
Molecular Weight: 806.11
Synonyms: None
SMILES: O[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C)C(CCS)=O)=O)=O)=O)OC)=O
Tpsa: 157.82
Logp: 4.0887
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₇₁N₅O₈S
Molecular Weight:
806.11
Synonyms:
None
SMILES:
O[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C)C(CCS)=O)=O)=O)=O)OC)=O
Tpsa:
157.82
Logp:
4.0887
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
22
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄O₄
Molecular Weight: 174.19
Synonyms: None
SMILES: O=C([C@H]1C[C@@H](O)CCO1)OCC
Tpsa: 55.76
Logp: 0.7255
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₄O₄
Molecular Weight:
174.19
Synonyms:
None
SMILES:
O=C([C@H]1C[C@@H](O)CCO1)OCC
Tpsa:
55.76
Logp:
0.7255
H Acceptors:
4
H Donors:
1
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: C₈H₇NO₄
Molecular Weight: 181.15
Synonyms: 4-methyl-pyridine-2,3-dicarboxylic acid
SMILES: O=C(C1=NC=CC(C)=C1C(O)=O)O
Tpsa: 87.49
Logp: 0.78642
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:
C₈H₇NO₄
Molecular Weight:
181.15
Synonyms:
4-methyl-pyridine-2,3-dicarboxylic acid
SMILES:
O=C(C1=NC=CC(C)=C1C(O)=O)O
Tpsa:
87.49
Logp:
0.78642
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₃NO₄
Molecular Weight: 305.37
Synonyms: 4,5-Anhydro-1,2-dideoxy-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-C-methyl-1-phenyl-L-threo-3-pentulose
SMILES: CC(C)(C)OC(N[C@@H](CC1=CC=CC=C1)C([C@@]2(CO2)C)=O)=O
Tpsa: 67.93
Logp: 2.4804
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₃NO₄
Molecular Weight:
305.37
Synonyms:
4,5-Anhydro-1,2-dideoxy-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-C-methyl-1-phenyl-L-threo-3-pentulose
SMILES:
CC(C)(C)OC(N[C@@H](CC1=CC=CC=C1)C([C@@]2(CO2)C)=O)=O
Tpsa:
67.93
Logp:
2.4804
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5