(S)-13-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-14,14-dimethyl-11-oxo-3,6,9-trioxa-12-azapentadecanoic acid

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(S)-13-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-14,14-dimethyl-11-oxo-3,6,9-trioxa-12-azapentadecanoic acid

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(S)-13-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-14,14-dimethyl-11-oxo-3,6,9-trioxa-12-azapentadecanoic acid

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Catalog Number	PR2172820107
CAS	2172820-10-7
IUPAC Name	2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid
Molecular Weight	634.7409
Molecular Formula	C₃₀H₄₂N₄O₉S
Canonical SMILES	OC(=O)COCCOCCOCC(=O)N[C@H](C(=O)N1[C@H](C(=O)NCC2C=CC(C3SC=NC=3C)=CC=2)C[C@@H](O)C1)C(C)(C)C
InChI	InChI=1S/C30H42N4O9S/c1-19-26(44-18-32-19)21-7-5-20(6-8-21)14-31-28(39)23-13-22(35)15-34(23)29(40)27(30(2,3)4)33-24(36)16-42-11-9-41-10-12-43-17-25(37)38/h5-8,18,22-23,27,35H,9-17H2,1-4H3,(H,31,39)(H,33,36)(H,37,38)/t22-,23+,27-/m1/s1
InChI Key	IVARPPZGMUAWCE-QSEAXJEQSA-N
Purity	95%
Isomeric SMILES	CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCC(=O)O)O

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