AG01EA65

58-49-1 | (Val5)-Angiotensin II H-Asp-Arg-Val-Tyr-Val-His-Pro-Phe-OH

AG01EA65

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CAS Number	58-49-1
Catalog Number	AG01EA65(AGN-PC-0SPZ7L)
Chemical Name	(Val5)-Angiotensin II H-Asp-Arg-Val-Tyr-Val-His-Pro-Phe-OH
IUPAC Name	(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
InChI	InChI=1S/C49H69N13O12/c1-26(2)39(60-42(67)33(12-8-18-54-49(51)52)56-41(66)32(50)23-38(64)65)45(70)57-34(20-29-14-16-31(63)17-15-29)43(68)61-40(27(3)4)46(71)58-35(22-30-24-53-25-55-30)47(72)62-19-9-13-37(62)44(69)59-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,63H,8-9,12-13,18-23,50H2,1-4H3,(H,53,55)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,64,65)(H,73,74)(H4,51,52,54)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
InChI Key	NLPUTBDZNNXHCO-CGHBYZBKSA-N
MDL Number	MFCD00167495
Molecular Formula	C49H69N13O12
Molecular Weight	1032.1521
SMILES	C(N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC1C=CC=CC=1)(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(=O)O)CC1C=CC(O)=CC=1)CC1N=CNC=1
Synonyms	Angiotensin II 5-valine, Asp-Arg-Val-Tyr-Val-His-Pro-Phe, (Val5)-Angiotensin II, 58-49-1, bovine angiotensin II, Val(5)-angiotensin II, CHEMBL216830, CHEBI:48434, L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanine, (Val5)angiotensin II, AspArgValTyrValHisProPh, [Val5] - ANGIOTENSIN II, HY-P0108, BDBM50048128, MFCD00167495, CS-5786, 58A491, Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II), [Asp1-Arg2-Val3-Tyr4-Val5-His6-Pro7-Phe8](angiotensin II), (2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-5,11-diisopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid, Angiotensin, Angiotensin acetate, ACN-049476, CID9811952, CID 9811952,

Complexity	1960
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	1031.519g/mol
Formal Charge	0
Heavy Atom Count	74
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	13
Isotope Atom Count	0
Molecular Weight	1032.17g/mol
Monoisotopic Mass	1031.519g/mol
Rotatable Bond Count	28
Topological Polar Surface Area	409A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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