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Cas Database |
| Name |
L-Phenylalanine,L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl- |
EINECS | N/A |
| CAS No. | 217082-58-1 | Density | 1.5 g/cm3 |
| PSA | 653.27000 | LogP | 2.10150 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C69H111N23O16S | Boiling Point | N/A |
| Molecular Weight | 1550.85 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
14: PN:WO2007039184 SEQID: 14 claimed sequence;15: PN: WO2004081198 SEQID: 4 claimedsequence;17: PN: WO2006023893 SEQID: 4 claimed sequence;17: PN: WO2006076736SEQID: 4 claimed sequence;1: PN: WO2009033784 PAGE: 98 claimed protein;2: PN:WO2009033819 PAGE: 103 claimed protein;65-77-Apelin (Mus musculus);65-77-Apelin, prepro-;7: PN: WO2005023863 SEQID: 7 claimed sequence;Apelin-13; |
Article Data | 1 |
L-Phenylalanine,L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl- Specification
The L-Phenylalanine,L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-, with CAS registry number 217082-58-1, belongs to the following product categories: (1)Peptide; (2)Apelin receptor. It has the systematic name of L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanine. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C69H111N23O16S.
Physical properties of L-Phenylalanine,L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 39; (7)#H bond donors: 26; (8)#Freely Rotating Bonds: 50; (9)Polar Surface Area: 386.84 Å2; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 393.68 cm3; (12)Molar Volume: 1032.2 cm3; (13)Polarizability: 156.07×10-24cm3; (14)Surface Tension: 68.6 dyne/cm; (15)Density: 1.5 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)Cc1ccccc1)[C@H]5N(C(=O)[C@@H](NC(=O)[C@H]4N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CCCNC(=[N@H])N)CC C2)CCCNC(=[N@H])N)CC(C)C)CO)Cc3cncn3)CCCCN)CCC4)CCSC)CCC5
(2)InChI: InChI=1/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
(3)InChIKey: XXCCRHIAIBQDPX-PEWBXTNBBG
(4)Std. InChI: InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
(5)Std. InChIKey: XXCCRHIAIBQDPX-PEWBXTNBSA-N
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