CS-0095087
Tert-butyl (S)-2-((1R,2S)-1-methoxy-3-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2088961-49-1
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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
C₂₄H₃₆N₂O₆
Molecular Weight
448.55
Synonyms
Tert-butyl (2S)-2-[(1R,2S)-1-methoxy-3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-YL]amino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
SMILES
O=C(N1[C@H]([C@H](OC)[C@H](C)C(N[C@@H](CC2=CC=CC=C2)C(OC)=O)=O)CCC1)OC(C)(C)C
Tpsa
94.17
Logp
2.9375
H Acceptors
6
H Donors
1
Rotatable Bonds
8
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: C₂₄H₃₆N₂O₆
Molecular Weight: 448.55
Synonyms: Tert-butyl (2S)-2-[(1R,2S)-1-methoxy-3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-YL]amino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
SMILES: O=C(N1[C@H]([C@H](OC)[C@H](C)C(N[C@@H](CC2=CC=CC=C2)C(OC)=O)=O)CCC1)OC(C)(C)C
Tpsa: 94.17
Logp: 2.9375
H Acceptors: 6
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:
C₂₄H₃₆N₂O₆
Molecular Weight:
448.55
Synonyms:
Tert-butyl (2S)-2-[(1R,2S)-1-methoxy-3-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-YL]amino]-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
SMILES:
O=C(N1[C@H]([C@H](OC)[C@H](C)C(N[C@@H](CC2=CC=CC=C2)C(OC)=O)=O)CCC1)OC(C)(C)C
Tpsa:
94.17
Logp:
2.9375
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
8
Purity: 97%
MDL No: MFCD00023506
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₄
Molecular Weight: 251.28
Synonyms: Diethyl-2,6-dimethyl-3,5-pyridine dicarboxylate
SMILES: O=C(C1=CC(C(OCC)=O)=C(C)N=C1C)OCC
Tpsa: 65.49
Logp: 2.05184
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD00023506
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₄
Molecular Weight:
251.28
Synonyms:
Diethyl-2,6-dimethyl-3,5-pyridine dicarboxylate
SMILES:
O=C(C1=CC(C(OCC)=O)=C(C)N=C1C)OCC
Tpsa:
65.49
Logp:
2.05184
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₂H₁₁₆N₂₀O₂₂S₁
Molecular Weight: 1645.90
Synonyms: Insulin B chain (9-23)
SMILES: O=C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](CC2=CC=C(C=C2)O)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CS)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(NCC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Tpsa: 676.36
Logp: -5.25243
H Acceptors: 23
H Donors: 25
Rotatable Bonds: 53
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₂H₁₁₆N₂₀O₂₂S₁
Molecular Weight:
1645.90
Synonyms:
Insulin B chain (9-23)
SMILES:
O=C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](CC2=CC=C(C=C2)O)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CS)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(NCC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Tpsa:
676.36
Logp:
-5.25243
H Acceptors:
23
H Donors:
25
Rotatable Bonds:
53
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₇₅N₅O₁₀
Molecular Weight: 954.20
Synonyms: L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl- (9CI)
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C(O)=O)CC2=CC=CC=C2)=O)OC)=O)OC)N(C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC3C4=C(C=CC=C4)C5=C3C=CC=C5)=O)C)=O)=O)C
Tpsa: 184.12
Logp: 6.7651
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 23
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₇₅N₅O₁₀
Molecular Weight:
954.20
Synonyms:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl- (9CI)
SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C(O)=O)CC2=CC=CC=C2)=O)OC)=O)OC)N(C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC3C4=C(C=CC=C4)C5=C3C=CC=C5)=O)C)=O)=O)C
Tpsa:
184.12
Logp:
6.7651
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
23