L-Leucine, N-[O-(1,1-dimethylethyl)-N-[N-[(phenylmethoxy)carbonyl]-L-.alpha.-glutamyl]-L-seryl]-, 5-(1,1-dimethylethyl) 1-methyl ester

SpectraBase Compound ID	ArdoffK8j1K
InChI	InChI=1S/C31H49N3O9/c1-20(17-30(2,3)4)16-23(28(39)41-8)32-27(38)24(19-43-31(5,6)7)33-26(37)22(14-15-25(35)36)34-29(40)42-18-21-12-10-9-11-13-21/h9-13,20,22-24H,14-19H2,1-8H3,(H,32,38)(H,33,37)(H,34,40)(H,35,36)/t20?,22-,23-,24-/m0/s1
InChIKey	ZAUSJNALAGLQEP-HQOSDTAYSA-N Google Search
Mol Weight	607.7 g/mol
Molecular Formula	C31H49N3O9
Exact Mass	607.34688 g/mol

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SpectraBase Spectrum ID	EHha7ngQf2k
Name	L-Leucine, N-[O-(1,1-dimethylethyl)-N-[N-[(phenylmethoxy)carbonyl]-L-.alpha.-glutamyl]-L-seryl]-, 5-(1,1-dimethylethyl) 1-methyl ester
Alternate Name(s)	(4S)-4-{[(benzyloxy)carbonyl]amino}-5-[((1S)-1-(tert-butoxymethyl)-2-{[(1S)-1-(methoxycarbonyl)-3,5,5-trimethylhexyl]amino}-2-oxoethyl)amino]-5-oxopentanoic acid N.alpha.-(benzyloxycarbonyl)-O-(t-butyl)glutamyl-O-(t-butyl)serylleucine methyl ester
CAS Registry Number	110575-64-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H49N3O9
InChI	InChI=1S/C31H49N3O9/c1-20(17-30(2,3)4)16-23(28(39)41-8)32-27(38)24(19-43-31(5,6)7)33-26(37)22(14-15-25(35)36)34-29(40)42-18-21-12-10-9-11-13-21/h9-13,20,22-24H,14-19H2,1-8H3,(H,32,38)(H,33,37)(H,34,40)(H,35,36)/t20?,22-,23-,24-/m0/s1
InChIKey	ZAUSJNALAGLQEP-HQOSDTAYSA-N
Molecular Weight	607.745 g/mol
SMILES	N(C([C@](CCC(=O)O)(NC(=O)OCc1ccccc1)[H])=O)[C@](C(N[C@](C(=O)OC)(CC(CC(C)(C)C)C)[H])=O)(COC(C)(C)C)[H]
SPLASH	splash10-00dr-0094670000-b0243f76b1e91194a2b7
Source of Spectrum	B-40-269-18
Wiley ID	1410669