John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GkvMdjWpQrx

(accessed ).
(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-DIESTER;ROTAMER-#2
SpectraBase Compound ID GkvMdjWpQrx
InChI InChI=1S/C31H45N5O12/c1-31(2,3)48-30(45)35-21(16-19-10-8-7-9-11-19)27(42)32-15-14-23(37)33-20(28(43)46-5)12-13-25(39)36(4)18-24(38)34-22(17-26(40)41)29(44)47-6/h7-11,20-22H,12-18H2,1-6H3,(H,32,42)(H,33,37)(H,34,38)(H,35,45)(H,40,41)/t20-,21-,22+/m0/s1
InChIKey OOEQIIYZCGBVQN-FDFHNCONSA-N
Mol Weight 679.7 g/mol
Molecular Formula C31H45N5O12
Exact Mass 679.306472 g/mol
Enantiomer InChIKey OOEQIIYZCGBVQN-VSKRKVRLSA-N
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