(VAL4)-ANGIOTENSIN III


CAS No. : 100900-28-5

(VAL4)-ANGIOTENSIN III,100900-28-5
Product Details
Cat No:M011797
Molecular Formula:C51H76N12O15
Molecular Weight:1097.238
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Cat No:M011797
Cas No:100900-28-5
Product-Name:(VAL4)-ANGIOTENSIN III
IUPAC Name:acetic acid;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:InChI=1S/C45H64N12O9.3C2H4O2/c1-25(2)36(55-38(59)31(46)12-8-18-50-45(47)48)41(62)52-32(20-28-14-16-30(58)17-15-28)39(60)56-37(26(3)4)42(63)53-33(22-29-23-49-24-51-29)43(64)57-19-9-13-35(57)40(61)54-34(44(65)66)21-27-10-6-5-7-11-27;3*1-2(3)4/h5-7,10-11,14-17,23-26,31-37,58H,8-9,12-13,18-22,46H2,1-4H3,(H,49,51)(H,52,62)(H,53,63)(H,54,61)(H,55,59)(H,56,60)(H,65,66)(H4,47,48,50);3*1H3,(H,3,4)/t31-,32-,33-,34-,35-,36-,37-;;;/m0.../s1
InChIKey:HTAOHKIKXFRIAN-MXCQYAJXSA-N
SMILES:CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CCCN=C(N)N)N.CC(=O)O.CC(=O)O.CC(=O)O
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