CS-0013272
N-[(S)-2-(tert-Butoxycarbonylamino)-4-phenylbutanoyl]-L-leucyl-L-phenylalanine
Manufacturer: ChemScene
CAS Number: 1545469-01-9
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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
C₃₀H₄₁N₃O₆
Molecular Weight
539.66
Synonyms
None
SMILES
OC([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)=O
Tpsa
133.83
Logp
3.8555
H Acceptors
5
H Donors
4
Rotatable Bonds
13
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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: C₃₀H₄₁N₃O₆
Molecular Weight: 539.66
Synonyms: None
SMILES: OC([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)=O
Tpsa: 133.83
Logp: 3.8555
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₁N₃O₆
Molecular Weight:
539.66
Synonyms:
None
SMILES:
OC([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)=O
Tpsa:
133.83
Logp:
3.8555
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
13
Purity: 98%
MDL No: MFCD00082638
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆N₂
Molecular Weight: 176.26
Synonyms: (R)-1-Benzyl-3-pyrrolidinamine; (R)-1-Benzylpyrrolidin-3-amine; (R)-1-Benzylpyrrolidin-3-ylamine; 3-(R)-1-benzyl-3-aminopyrrolidine
SMILES: N[C@H]1CN(CC2=CC=CC=C2)CC1
Tpsa: 29.26
Logp: 1.2196
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00082638
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆N₂
Molecular Weight:
176.26
Synonyms:
(R)-1-Benzyl-3-pyrrolidinamine; (R)-1-Benzylpyrrolidin-3-amine; (R)-1-Benzylpyrrolidin-3-ylamine; 3-(R)-1-benzyl-3-aminopyrrolidine
SMILES:
N[C@H]1CN(CC2=CC=CC=C2)CC1
Tpsa:
29.26
Logp:
1.2196
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD30533139
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₈N₂O₅
Molecular Weight: 434.57
Synonyms: Methyl (S)-2-Amino-3-[4-[4-(1-Boc-4-piperidyl)butoxy]phenyl]propanoate
SMILES: O=C(N1CCC(CCCCOC2=CC=C(C[C@H](N)C(OC)=O)C=C2)CC1)OC(C)(C)C
Tpsa: 91.09
Logp: 3.9256
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 9
Purity:
97%
MDL No:
MFCD30533139
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₈N₂O₅
Molecular Weight:
434.57
Synonyms:
Methyl (S)-2-Amino-3-[4-[4-(1-Boc-4-piperidyl)butoxy]phenyl]propanoate
SMILES:
O=C(N1CCC(CCCCOC2=CC=C(C[C@H](N)C(OC)=O)C=C2)CC1)OC(C)(C)C
Tpsa:
91.09
Logp:
3.9256
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
9
Purity: 97%
MDL No: MFCD00069901
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂H₆O₆S₂
Molecular Weight: 190.20
Synonyms: 1,2-Ethylenedisulfonic acid; Allergosil; Ethane-α,β-disulfonic acid; Ethanedisulfonic acid; ethane-1,2-disulfonic acid
SMILES: OS(=O)(CCS(O)(=O)=O)=O
Tpsa: 108.74
Logp: -1.238
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
MFCD00069901
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂H₆O₆S₂
Molecular Weight:
190.20
Synonyms:
1,2-Ethylenedisulfonic acid; Allergosil; Ethane-α,β-disulfonic acid; Ethanedisulfonic acid; ethane-1,2-disulfonic acid
SMILES:
OS(=O)(CCS(O)(=O)=O)=O
Tpsa:
108.74
Logp:
-1.238
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3