![Alanine, N-[N-[1-[N-[N-(N-propionyl-L-tryptophyl)-L-leucyl]-L-valyl]-L-prolyl]-L-leucyl]-, methyl ester, L-](/api/spectrum/25jfcN30Xxu/structure.png?h=300&w=458 "Alanine, N-[N-[1-[N-[N-(N-propionyl-L-tryptophyl)-L-leucyl]-L-valyl]-L-prolyl]-L-leucyl]-, methyl ester, L-")
| SpectraBase Compound ID | BXq0Dsrsa7i |
|---|---|
| InChI | InChI=1S/C40H61N7O8/c1-10-33(48)43-31(20-26-21-41-28-15-12-11-14-27(26)28)36(50)44-30(19-23(4)5)37(51)46-34(24(6)7)39(53)47-17-13-16-32(47)38(52)45-29(18-22(2)3)35(49)42-25(8)40(54)55-9/h11-12,14-15,21-25,29-32,34,41H,10,13,16-20H2,1-9H3,(H,42,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51) |
| InChIKey | YMCUCCLWPYIHBX-UHFFFAOYSA-N |
| Mol Weight | 768.0 g/mol |
| Molecular Formula | C40H61N7O8 |
| Exact Mass | 767.458162 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 25jfcN30Xxu |
|---|---|
| Name | Alanine, N-[N-[1-[N-[N-(N-propionyl-L-tryptophyl)-L-leucyl]-L-valyl]-L-prolyl]-L-leucyl]-, methyl ester, L- |
| CAS Registry Number | 55822-85-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H61N7O8 |
| InChI | InChI=1S/C40H61N7O8/c1-10-33(48)43-31(20-26-21-41-28-15-12-11-14-27(26)28)36(50)44-30(19-23(4)5)37(51)46-34(24(6)7)39(53)47-17-13-16-32(47)38(52)45-29(18-22(2)3)35(49)42-25(8)40(54)55-9/h11-12,14-15,21-25,29-32,34,41H,10,13,16-20H2,1-9H3,(H,42,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51) |
| InChIKey | YMCUCCLWPYIHBX-UHFFFAOYSA-N |
| Molecular Weight | 767.969 g/mol |
| SMILES | N(C(C(N1C(C(NC(C(NC(C(=O)OC)C)=O)CC(C)C)=O)CCC1)=O)C(C)C)C(C(NC(C(Cc1c[nH]c2c1cccc2)NC(=O)CC)=O)CC(C)C)=O |
| SPLASH | splash10-00di-7944102000-012db3d1049ecfe46844 |
| Source of Spectrum | O-5-25-2 |
| Synonyms | DL-Alanine, N-[N-[1-[N-[N-[N-(1-oxopropyl)-DL-tryptophyl]-DL-leucyl-DL-valyl]-DL-prolyl]-DL-leucyl]-, methyl ester Methyl 2-[(2-([(1-(2-[(2-([3-(1H-indol-3-yl)-2-(propionylamino)propanoyl]amino)-4-methylpentanoyl)amino]-3-methylbutanoyl)-2-pyrrolidinyl)carbonyl]amino)-4-methylpentanoyl)amino]propanoate Propionyltryptophylleucylvalylprolylleucylalanine methyl ester 2-[[2-[[[1-[2-[[2-[[3-(1H-indol-3-yl)-1-oxo-2-(1-oxopropylamino)propyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]propanoic acid methyl ester Methyl 2-[[2-[[1-[2-[[2-[[3-(1H-indol-3-yl)-2-(propanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoate Methyl 2-[[2-[[1-[2-[[2-[[3-(1H-indol-3-yl)-2-(propanoylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]propanoate Methyl 2-[[2-[[1-[2-[[2-[[3-(1H-indol-3-yl)-2-(propanoylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]propanoate |
| Wiley ID | 66672 |