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Tricyclo[3.3.1.1(3,7)]dec-1-yl [R-(R*,S*)]-2-[[1-(hydroxymethyl)-2-phenylethyl]amino]-1-(1H)-indol-3-ylmethyl)-1-methyl-2-oxoethyl]carbamate
SpectraBase Compound ID 7KkrUye1VQ2
InChI InChI=1S/C32H39N3O4/c1-31(18-25-19-33-28-10-6-5-9-27(25)28,29(37)34-26(20-36)14-21-7-3-2-4-8-21)35-30(38)39-32-15-22-11-23(16-32)13-24(12-22)17-32/h2-10,19,22-24,26,33,36H,11-18,20H2,1H3,(H,34,37)(H,35,38)/t22?,23?,24?,26-,31+,32?/m0/s1
InChIKey NYMRMIFFAHHBIN-YMUGRNCXSA-N
Mol Weight 529.7 g/mol
Molecular Formula C32H39N3O4
Exact Mass 529.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmurA89J5eK
Name Tricyclo[3.3.1.1(3,7)]dec-1-yl [R-(R*,S*)]-2-[[1-(hydroxymethyl)-2-phenylethyl]amino]-1-(1H)-indol-3-ylmethyl)-1-methyl-2-oxoethyl]carbamate
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Formula C32H39N3O4
InChI InChI=1S/C32H39N3O4/c1-31(18-25-19-33-28-10-6-5-9-27(25)28,29(37)34-26(20-36)14-21-7-3-2-4-8-21)35-30(38)39-32-15-22-11-23(16-32)13-24(12-22)17-32/h2-10,19,22-24,26,33,36H,11-18,20H2,1H3,(H,34,37)(H,35,38)/t22?,23?,24?,26-,31+,32?/m0/s1
InChIKey NYMRMIFFAHHBIN-YMUGRNCXSA-N
Molecular Weight 529.681 g/mol
SMILES [nH]1c2c(c(C[C@](C(N[C@](CO)(Cc3ccccc3)[H])=O)(NC(OC34CC5CC(C4)CC(C3)C5)=O)C)c1)cccc2
SPLASH splash10-001i-0900000000-812b6a3b20f2047481e8
Source of Spectrum E1-36-559-8
Synonyms [R-(R'',S*)]-Carbamic acid [2-[[1-(hydroxymethyl)-2-phenylethyl]amino]-1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl]tricyclo[3.3,1.1(3,7)]dec-1-yl ester N-[(2R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid 1-adamantyl ester 1-Adamantyl N-[(2R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate 1-Adamantyl N-[(1R)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]carbamate 1-Adamantyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]propan-2-yl]carbamate
Wiley ID 1574607