CAS No.13602-53-4,ANGIOTENSIN III, HUMAN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13602-53-4
Name:	ANGIOTENSIN III, HUMAN
Article Data:	3

Formula:	C₄₆H₆₆N₁₂O₉
Molecular Weight:	931.105
Synonyms:	Alanine,N-[1-[N-[N-[N-(N-L-arginyl-L-valyl)-L-tyrosyl]-L-isoleucyl]-L-histidyl]-L-prolyl]-3-phenyl-(7CI);Alanine, N-[1-[N-[N-[N-(N-arginylvalyl)tyrosyl]isoleucyl]histidyl]prolyl]-3-phenyl-(6CI);Angiotensin II, 1-de-L-aspartic acid-5-L-isoleucine- (8CI);AngiotensinIII, 4-L-isoleucine- (9CI);(2-8)-5-Isoleucine-angiotensin II;1-Des-5-isoleucine-angiotensin II;10: PN: WO0018899 PAGE: 18 unclaimedsequence;12: PN: US20030119021 SEQID: 11 unclaimed sequence;13: PN: WO0069900SEQID: 662 unclaimed sequence;15: PN: WO0212471 SEQID: 22 unclaimed sequence;18: PN: WO0069900 SEQID: 667 unclaimed sequence;19: PN: WO2005030806 SEQID: 5claimed sequence;1: PN: US6762167 SEQID: 2 unclaimed sequence;1: PN:WO0144270 SEQID: 2 claimed protein;204: PN: WO2006081190 SEQID: 204 unclaimedsequence;22: PN: US6610497 SEQID: 22 unclaimed sequence;22: PN: US6989363SEQID: 22 unclaimed sequence;2: PN: US6022696 SEQID: 3 unclaimed sequence;2:PN: WO0002905 SEQID: 2 claimed protein;2: PN: WO0056345 SEQID: 2 claimedsequence;2: PN: WO0143761 SEQID: 2 claimed protein;2: PN: WO0155176 SEQID: 2claimed protein;2: PN: WO0198325 SEQID: 2 claimed protein;2: PN: WO02087504SEQID: 2 claimed protein;2: PN: WO2009039966 PAGE: 99 claimed protein;3: PN:US20030130196 SEQID: 2 claimed protein;42: PN: US20090227507 SEQID: 5unclaimed protein;461: PN: WO0069900 SEQID: 647 unclaimed sequence;4: PN:US20080026409 SEQID: 1 unclaimed sequence;4: PN: WO03072059 SEQID: 5 unclaimedsequence;5-Isoleucine-angiotensin II 2-8-heptapeptide;5-Isoleucine-angiotensin III;537: PN: US20090175821 SEQID: 647 claimedprotein;5: PN: US20090142851 SEQID: 5 claimed protein;6: PN: WO2006020981SEQID: 6 unclaimed sequence;9: PN: WO2008138350 SEQID: 9 claimed sequence;9:PN: WO9958140 SEQID: 2 claimed protein;Angiotensin II (2-8);Angiotensin III(human);Angiotensin III (mouse);Des-Asp-5-Ile-angiotensin II;Des-Asp1-[Ile5]-angiotensinII;Des1-Ile5-angiotensin II;Human angiotensin III;
Density:	1.39 g/cm³
Solubility:	H₂O: 1.0 mg/mL, clear, colorless
PSA:	339.94000
LogP:	3.71910

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Specification

The 2-8-Angiotensin II,5-L-isoleucine- is an organic compound with the formula C₄₆H₆₆N₁₂O₉. The IUPAC name of this chemical is (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid. With the CAS registry number 13602-53-4, it is also named as L-Arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine. The product's categories are Angiotensin; Peptide.

Physical properties about 2-8-Angiotensin II,5-L-isoleucine- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -0.29; (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): 1; (9)#H bond acceptors: 21; (10)#H bond donors: 14; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 197.29Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 245.42 cm³; (15)Molar Volume: 666.7 cm³; (16)Polarizability: 97.29×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.39 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC/N=C(\N)N)C(C)C)Cc1ccc(O)cc1)[C@@H](C)CC)Cc2cncn2)CCC3)Cc4ccccc4
(2)InChI: InChI=1/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1
(3)InChIKey: QMMRCKSBBNJCMR-KMZPNFOHBP