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Cas Database |
| Name |
Angiotensin I, 5-L-isoleucine- |
EINECS | N/A |
| CAS No. | 484-42-4 | Density | 1.43 g/cm3 |
| PSA | 493.22000 | LogP | 3.83280 |
| Solubility | Soluble to 1 mg/ml in water. | Melting Point |
N/A |
| Formula | C62H89N17O14 | Boiling Point | N/A |
| Molecular Weight | 1296.49 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Leucine,N-[N-[N-[1-[N-[N-[N-[N-(N2-L-a-aspartyl-L-arginyl)-L-valyl]-L-tyrosyl]-L-isoleucyl]-L-histidyl]-L-prolyl]-3-phenylalanyl]-L-histidyl]-,L- (7CI);Leucine, N-[N-[N-[1-[N-[N-[N-[N-(N2-a-aspartylarginyl)valyl]tyrosyl]isoleucyl]histidyl]prolyl]-3-phenylalanyl]histidyl]-(6CI);10: PN: US20030119021 SEQID: 9 unclaimed protein;10: PN: WO0239997SEQID: 15 unclaimed protein;116: PN: WO2006032674 SEQID: 116 claimed protein;127: PN: US20070185028 SEQID: 125 unclaimed protein;133: PN: WO02098448 SEQID:143 unclaimed protein;133: PN: WO02098906 SEQID: 143 unclaimed protein;13:PN: WO2004007538 SEQID: 12 claimed protein;14: PN: EP1092724 SEQID: 1unclaimed protein;15: PN: US6610497 SEQID: 15 unclaimed protein;15: PN:US6884771 SEQID: 15 unclaimed protein;15: PN: US6989363 SEQID: 15 unclaimedprotein;1: PN: EP1990827 SEQID: 1 unclaimed sequence;1: PN: JP2001354699PAGE: 2 unclaimed protein;1: PN: JP2003192695 SEQID: 9 unclaimed protein;1:PN: JP2006199597 PAGE: 11 unclaimed protein;1: PN: US20080293634 SEQID: 9claimed sequence;1: PN: WO0168113 SEQID: 1 unclaimed protein;1: PN: WO02059343SEQID: 1 unclaimed protein;1: PN: WO03081255 PAGE: 28 unclaimed protein;202:PN: WO2006081190 SEQID: 202 unclaimed protein;26: PN: US6762167 SEQID: 37unclaimed protein;2: PN: JP2003284551 SEQID: 2 unclaimed protein;2: PN:JP2008196965 SEQID: 2 unclaimed sequence;2: PN: US20050199804 SEQID: 2unclaimed protein;2: PN: WO2009040071 PAGE: 98 claimed protein;2: PN:WO2009056651 SEQID: 2 claimed protein;32: PN: US20060078554 SEQID: 16 claimedprotein;34: PN: US20050100951 SEQID: 45 unclaimed protein;34: PN: WO0144270SEQID: 37 claimed protein;35: PN: WO0143761 SEQID: 37 claimed protein;35: PN:WO0155176 SEQID: 37 claimed protein;36: PN: US20030130196 SEQID: 37 claimedprotein;36: PN: WO0002905 SEQID: 37 claimed protein;36: PN: WO0198325 SEQID:37 claimed protein;37: PN: WO0056345 SEQID: 37 claimed protein;3: PN:US20050148098 SEQID: 3 unclaimed protein; |
Article Data | 2 |
Angiotensin I, 5-L-isoleucine- Specification
This chemical is called Angiotensin I, 5-L-isoleucine-, and it can also be named as Angiotensin I, ile(5)-. With the molecular formula of C62H89N17O14, its molecular weight is 1296.48. The CAS registry number of this chemical is 484-42-4. Additionally, its product category is Angiotensin. It should be stored at the temperature of -15°C.
Other characteristics of the Angiotensin I, 5-L-isoleucine- can be summarised as followings: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.22; (9)#H bond acceptors: 31; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 39; (12)Polar Surface Area: 302.34 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 335.78 cm3; (15)Molar Volume: 901.1 cm3; (16)Polarizability: 133.11×10-24cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.43 g/cm3.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1
2.Smiles:C(=O)(O)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1CCCN1C([C@@H](NC([C@@H](NC([C@H](Cc1ccc(cc1)O)NC([C@H](C(C)C)NC([C@@H](NC(=O)[C@H](CC(O)=O)N)CCCNC(=N)N)=O)=O)=O)[C@H](CC)C)=O)Cc1[nH]cnc1)=O)=O)Cc1ccccc1)=O)Cc1[nH]cnc1)=O)CC(C)C
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