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Carbamic acid, [3-[hexahydro-1,4-dioxo-3-(phenylmethyl)pyrrolo[1,2-a]pyrazin-2(1H)-y l]-3-oxopropyl]-, phenylmethyl ester, (3S-cis)-
SpectraBase Compound ID LNBAV40TkHY
InChI InChI=1S/C25H27N3O5/c29-22(13-14-26-25(32)33-17-19-10-5-2-6-11-19)28-21(16-18-8-3-1-4-9-18)23(30)27-15-7-12-20(27)24(28)31/h1-6,8-11,20-21H,7,12-17H2,(H,26,32)
InChIKey BJLROWJYUOPWBC-UHFFFAOYSA-N
Mol Weight 449.51 g/mol
Molecular Formula C25H27N3O5
Exact Mass 449.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMns8gEAJ69
Name Carbamic acid, [3-[hexahydro-1,4-dioxo-3-(phenylmethyl)pyrrolo[1,2-a]pyrazin-2(1H)-y l]-3-oxopropyl]-, phenylmethyl ester, (3S-cis)-
Alternate Name(s) benzyl 3-(3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-oxopropylcarbamate N-(N-benzyloxycarbonyl-.beta.-alanyl)-cyclo-(L-phenylalanyl-D-prolyl) Pyrrolo[1,2-a]pyrazine, carbamic acid deriv.
CAS Registry Number 82938-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O5
InChI InChI=1S/C25H27N3O5/c29-22(13-14-26-25(32)33-17-19-10-5-2-6-11-19)28-21(16-18-8-3-1-4-9-18)23(30)27-15-7-12-20(27)24(28)31/h1-6,8-11,20-21H,7,12-17H2,(H,26,32)
InChIKey BJLROWJYUOPWBC-UHFFFAOYSA-N
Molecular Weight 449.507 g/mol
SMILES N(C(=O)OCc1ccccc1)CCC(N1C(C2CCCN2C(C1Cc1ccccc1)=O)=O)=O
SPLASH splash10-0006-9026000000-10ef0cf32f3c9fa70c53
Source of Spectrum KC-1982-1314-0
Wiley ID 1387449