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L-Cysteine, S,S'-1H-indole-2,3-diylbis[N-benzoyl-, dimethyl ester
SpectraBase Compound ID 31XXuvzLpfG
InChI InChI=1S/C30H29N3O6S2/c1-38-29(36)23(31-26(34)19-11-5-3-6-12-19)17-40-25-21-15-9-10-16-22(21)33-28(25)41-18-24(30(37)39-2)32-27(35)20-13-7-4-8-14-20/h3-16,23-24,33H,17-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-/m0/s1
InChIKey JTYNCRQSLVFBLS-ZEQRLZLVSA-N
Mol Weight 591.7 g/mol
Molecular Formula C30H29N3O6S2
Exact Mass 591.149778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Dmmx8XWXm1
Name L-Cysteine, S,S'-1H-indole-2,3-diylbis[N-benzoyl-, dimethyl ester
Alternate Name(s) 2,3-Di-(l)(2-methoxycarbonyl-2-phenylcarbonylamino-ethyl)-1-benzazole Methyl (2R)-2-(benzoylamino)-3-[(2-{[(2R)-2-(benzoylamino)-3-methoxy-3-oxopropyl]sulfanyl}-1H-indol-3-yl)sulfanyl]propanoate
CAS Registry Number 109107-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29N3O6S2
InChI InChI=1S/C30H29N3O6S2/c1-38-29(36)23(31-26(34)19-11-5-3-6-12-19)17-40-25-21-15-9-10-16-22(21)33-28(25)41-18-24(30(37)39-2)32-27(35)20-13-7-4-8-14-20/h3-16,23-24,33H,17-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-/m0/s1
InChIKey JTYNCRQSLVFBLS-ZEQRLZLVSA-N
Molecular Weight 591.697 g/mol
SMILES [nH]1c2ccccc2c(c1SC[C@](NC(=O)c1ccccc1)(C(=O)OC)[H])SC[C@](NC(=O)c1ccccc1)(C(=O)OC)[H]
SPLASH splash10-0a4i-0910000000-cbd576f91709561e295f
Source of Spectrum F-42-4515-9
Wiley ID 1409412