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Tyr-Glu-Asn-Pro-Arg-Asn-Val-Gly-Ser-[13C5,15N] trifluoroacetate salt

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General Information
Catalog: BLP-000269
Molecular Formula: C40[13C]5H67F3N13[15N]O18
Molecular Weight: 1025.03

Chemical Structure

Synonyms	Tyr-Glu-Asn-(Pro-13C5,15N)-Arg-Asn-Val-Gly-Ser trifluoroacetate salt
IUPAC Name	(4S)-5-[[(2S)-4-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl](2,3,4,5-13C4,1-15N)azolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Canonical SMILES	CC(C)C(C(=O)NCC(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N.C(=O)(C(F)(F)F)O
InChI	InChI=1S/C43H66N14O16.C2HF3O2/c1-20(2)34(40(70)50-18-32(62)51-28(19-58)42(72)73)56-38(68)26(16-30(45)60)54-36(66)24(5-3-13-49-43(47)48)53-39(69)29-6-4-14-57(29)41(71)27(17-31(46)61)55-37(67)25(11-12-33(63)64)52-35(65)23(44)15-21-7-9-22(59)10-8-21;3-2(4,5)1(6)7/h7-10,20,23-29,34,58-59H,3-6,11-19,44H2,1-2H3,(H2,45,60)(H2,46,61)(H,50,70)(H,51,62)(H,52,65)(H,53,69)(H,54,66)(H,55,67)(H,56,68)(H,63,64)(H,72,73)(H4,47,48,49);(H,6,7)/t23-,24-,25-,26-,27-,28-,29-,34-;/m0./s1/i4+1,6+1,14+1,29+1,57+1;
InChI Key	BRALCSSLGYRZJY-JOACJLRBSA-N
Purity	≥95% (CP); ≥99% 13C; ≥98% 15N
Appearance	Solid
Storage	Store at -20°C