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Methyl (2S,7aS)-2-[(2S)-4-tert-butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoyl)amino]-3-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate

View entire compound with spectra: 2 MS (GC)

Methyl (2S,7aS)-2-[(2S)-4-tert-butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoyl)amino]-3-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
SpectraBase Compound ID 97J9qipPd7A
InChI InChI=1S/C32H37N3O8/c1-31(2,3)43-26(36)16-24(27(37)33-25-17-32(29(39)41-4)14-9-15-35(32)28(25)38)34-30(40)42-18-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,23-25H,9,14-18H2,1-4H3,(H,33,37)(H,34,40)/t24-,25-,32-/m0/s1
InChIKey HGVIGZRNFUVTFQ-CAHKVJEUSA-N
Mol Weight 591.7 g/mol
Molecular Formula C32H37N3O8
Exact Mass 591.258065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cK7B70hfv7
Name Methyl (2S,7aS)-2-[(2S)-4-tert-butoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoyl)amino]-3-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H37N3O8
InChI InChI=1S/C32H37N3O8/c1-31(2,3)43-26(36)16-24(27(37)33-25-17-32(29(39)41-4)14-9-15-35(32)28(25)38)34-30(40)42-18-23-21-12-7-5-10-19(21)20-11-6-8-13-22(20)23/h5-8,10-13,23-25H,9,14-18H2,1-4H3,(H,33,37)(H,34,40)/t24-,25-,32-/m0/s1
InChIKey HGVIGZRNFUVTFQ-CAHKVJEUSA-N
Molecular Weight 591.661 g/mol
SMILES N([C@]1(C[C@]2(N(CCC2)C1=O)C(=O)OC)[H])C([C@](CC(=O)OC(C)(C)C)(NC(=O)OCC1c2ccccc2-c2ccccc12)[H])=O
SPLASH splash10-004r-6920000000-388a504f89d6fa42e153
Source of Spectrum F-70-866-24
Synonyms (2S,8S)-2-[[(2S)-4-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-butanoyl]amino]-3-keto-pyrrolizidine-8-carboxylic acid methyl ester (6S,8S)-6-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid methyl ester Methyl (6S,8S)-6-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate Methyl (6S,8S)-6-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate Methyl (6S,8S)-6-[[(2S)-4-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoyl]amino]-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
Wiley ID 1596137