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N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]-D-alanyl-2-aminobenzoyl-D-tryptophan methyl ester
SpectraBase Compound ID 8VtBijZ5gj2
InChI InChI=1S/C37H34N4O6/c1-22(39-37(45)47-21-30-27-14-5-3-12-25(27)26-13-4-6-15-28(26)30)34(42)40-32-18-10-8-16-29(32)35(43)41-33(36(44)46-2)19-23-20-38-31-17-9-7-11-24(23)31/h3-18,20,22,30,33,38H,19,21H2,1-2H3,(H,39,45)(H,40,42)(H,41,43)/t22-,33-/m1/s1
InChIKey SYSGQOBQWCTZLT-DHYKOVJISA-N
Mol Weight 630.7 g/mol
Molecular Formula C37H34N4O6
Exact Mass 630.247835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9w8Y2phyp5M
Name N-[(9H)-Fluoren-9-ylmethoxy)carbonyl]-D-alanyl-2-aminobenzoyl-D-tryptophan methyl ester
Alternate Name(s) (2R)-2-[[[2-[[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]amino]phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester methyl (2R)-2-[[2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate methyl (2R)-2-[[2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H34N4O6
InChI InChI=1S/C37H34N4O6/c1-22(39-37(45)47-21-30-27-14-5-3-12-25(27)26-13-4-6-15-28(26)30)34(42)40-32-18-10-8-16-29(32)35(43)41-33(36(44)46-2)19-23-20-38-31-17-9-7-11-24(23)31/h3-18,20,22,30,33,38H,19,21H2,1-2H3,(H,39,45)(H,40,42)(H,41,43)/t22-,33-/m1/s1
InChIKey SYSGQOBQWCTZLT-DHYKOVJISA-N
Molecular Weight 630.701 g/mol
SMILES N(C([C@](NC(OCC1c2c(cccc2)-c2c1cccc2)=O)(C)[H])=O)c1c(C(N[C@](Cc2c[nH]c3c2cccc3)(C(=O)OC)[H])=O)cccc1
SPLASH splash10-001i-0900000000-6dd755c7866dcec20672
Source of Spectrum J-65-1026-6
Wiley ID 1532149