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(2R)-N-{(2S)-6-[N-(Benzyloxy)-N-tosylamino]-2-{bis(methylthio)methylidene]amino}hexanoyl}-bornane-10,2-sultam
SpectraBase Compound ID EYc6HI4B3cz
InChI InChI=1S/C33H45N3O6S4/c1-24-14-16-27(17-15-24)46(40,41)35(42-22-25-11-7-6-8-12-25)20-10-9-13-28(34-31(43-4)44-5)30(37)36-29-21-26-18-19-33(29,32(26,2)3)23-45(36,38)39/h6-8,11-12,14-17,26,28-29H,9-10,13,18-23H2,1-5H3/t26-,28?,29?,33-/m0/s1
InChIKey CGVPKLKUJHULLM-SMVMJZQHSA-N
Mol Weight 708.0 g/mol
Molecular Formula C33H45N3O6S4
Exact Mass 707.219121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nDYAM0Ob7Q
Name (2R)-N-{(2S)-6-[N-(Benzyloxy)-N-tosylamino]-2-{bis(methylthio)methylidene]amino}hexanoyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl 5-{(benzyloxy)[(4-methylphenyl)sulfonyl]amino}-1-[(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)carbonyl]pentyldithioimidocarbonate
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Formula C33H45N3O6S4
InChI InChI=1S/C33H45N3O6S4/c1-24-14-16-27(17-15-24)46(40,41)35(42-22-25-11-7-6-8-12-25)20-10-9-13-28(34-31(43-4)44-5)30(37)36-29-21-26-18-19-33(29,32(26,2)3)23-45(36,38)39/h6-8,11-12,14-17,26,28-29H,9-10,13,18-23H2,1-5H3/t26-,28?,29?,33-/m0/s1
InChIKey CGVPKLKUJHULLM-SMVMJZQHSA-N
Molecular Weight 707.978 g/mol
SMILES C12N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(C(N=C(SC)SC)CCCCN(S(c1ccc(cc1)C)(=O)=O)OCc1ccccc1)=O
SPLASH splash10-0006-9100102000-c6820db51c972d9e2c77
Source of Spectrum H-77-2377-8
Wiley ID 1415256