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N,N-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide
SpectraBase Compound ID BvvJr1afUIo
InChI InChI=1S/C33H39N3O9S/c1-4-44-32(40)26(20-23-12-8-6-9-13-23)36(27(33(41)45-5-2)21-24-14-10-7-11-15-24)31(39)28(29(37)30(34)38)35-46(42,43)25-18-16-22(3)17-19-25/h6-19,26-29,35,37H,4-5,20-21H2,1-3H3,(H2,34,38)/t26-,27-,28+,29+/m1/s1
InChIKey GZMCVYRZWRCYRH-GKQHHHCTSA-N
Mol Weight 653.7 g/mol
Molecular Formula C33H39N3O9S
Exact Mass 653.240701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WKpefiZ5SX
Name N,N-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide
Alternate Name(s) Ethyl (2R)-2-{((2S,3S)-4-amino-3-hydroxy-2-{[(4-methylphenyl)sulfonyl]amino}-4-oxobutanoyl)[(1R)-1-benzyl-2-ethoxy-2-oxoethyl]amino}-3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H39N3O9S
InChI InChI=1S/C33H39N3O9S/c1-4-44-32(40)26(20-23-12-8-6-9-13-23)36(27(33(41)45-5-2)21-24-14-10-7-11-15-24)31(39)28(29(37)30(34)38)35-46(42,43)25-18-16-22(3)17-19-25/h6-19,26-29,35,37H,4-5,20-21H2,1-3H3,(H2,34,38)/t26-,27-,28+,29+/m1/s1
InChIKey GZMCVYRZWRCYRH-GKQHHHCTSA-N
Molecular Weight 653.747 g/mol
SMILES N([C@@]([C@@](C(=O)N)(O)[H])(C(N([C@@](C(=O)OCC)(Cc1ccccc1)[H])[C@@](C(=O)OCC)(Cc1ccccc1)[H])=O)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0zpm-2981200000-bf9b5b64eb011e372c77
Source of Spectrum QE-12-4369-5
Wiley ID 1586995