N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-2-aminobenzoyl-D-tryptophan methyl ester

SpectraBase Compound ID	4p892AEgdU4
InChI	InChI=1S/C39H38N4O6/c1-23(2)35(43-39(47)49-22-31-28-15-6-4-13-26(28)27-14-5-7-16-29(27)31)37(45)41-33-19-11-9-17-30(33)36(44)42-34(38(46)48-3)20-24-21-40-32-18-10-8-12-25(24)32/h4-19,21,23,31,34-35,40H,20,22H2,1-3H3,(H,41,45)(H,42,44)(H,43,47)/t34-,35+/m1/s1
InChIKey	VORVQRDXJYPHJJ-GPOMZPHUSA-N Google Search
Mol Weight	658.8 g/mol
Molecular Formula	C39H38N4O6
Exact Mass	658.279135 g/mol

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SpectraBase Spectrum ID	C1EkEaxsslC
Name	N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-2-aminobenzoyl-D-tryptophan methyl ester
Alternate Name(s)	(2R)-2-[[[2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester Methyl (2R)-2-[[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate Methyl (2R)-2-[[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate Methyl (2R)-2-[[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
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Formula	C39H38N4O6
InChI	InChI=1S/C39H38N4O6/c1-23(2)35(43-39(47)49-22-31-28-15-6-4-13-26(28)27-14-5-7-16-29(27)31)37(45)41-33-19-11-9-17-30(33)36(44)42-34(38(46)48-3)20-24-21-40-32-18-10-8-12-25(24)32/h4-19,21,23,31,34-35,40H,20,22H2,1-3H3,(H,41,45)(H,42,44)(H,43,47)/t34-,35+/m1/s1
InChIKey	VORVQRDXJYPHJJ-GPOMZPHUSA-N
Molecular Weight	658.755 g/mol
SMILES	N(C([C@@](NC(OCC1c2c(cccc2)-c2c1cccc2)=O)(C(C)C)[H])=O)c1c(C(N[C@](Cc2c[nH]c3c2cccc3)(C(=O)OC)[H])=O)cccc1
SPLASH	splash10-0059-0900000000-ed1ae393646cb173aa40
Source of Spectrum	J-65-1026-10
Wiley ID	1532147