SpectraBase Compound ID | IrL0h7JbMk7 |
---|---|
InChI | InChI=1S/C31H46N8O9/c1-17(2)12-20(36-25(41)15-32)27(43)37-21(13-19-8-5-4-6-9-19)28(44)38-22(14-24(33)40)30(46)39-11-7-10-23(39)29(45)34-16-26(42)35-18(3)31(47)48/h4-6,8-9,17-18,20-23H,7,10-16,32H2,1-3H3,(H2,33,40)(H,34,45)(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,47,48)/t18-,20-,21-,22-,23-/m0/s1 |
InChIKey | GDTYFHTXDQLIFC-SVXFZJLFSA-N |
Mol Weight | 674.8 g/mol |
Molecular Formula | C31H46N8O9 |
Exact Mass | 674.338775 g/mol |
SpectraBase Spectrum ID | LwiDnn1QYjY |
---|---|
Name | (2S)-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid |
Carrier Gas | Helium |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 674.338775084 u |
Formula | C31H46N8O9 |
GC Column | DB-WAX (30 m x 0.25 mm, film thickness 0.25 micrometer) |
GC Oven Program | Oven temp 230oC |
InChI | InChI=1S/C31H46N8O9/c1-17(2)12-20(36-25(41)15-32)27(43)37-21(13-19-8-5-4-6-9-19)28(44)38-22(14-24(33)40)30(46)39-11-7-10-23(39)29(45)34-16-26(42)35-18(3)31(47)48/h4-6,8-9,17-18,20-23H,7,10-16,32H2,1-3H3,(H2,33,40)(H,34,45)(H,35,42)(H,36,41)(H,37,43)(H,38,44)(H,47,48)/t18-,20-,21-,22-,23-/m0/s1 |
InChIKey | GDTYFHTXDQLIFC-SVXFZJLFSA-N |
Instrument Name | Agilent GC-MS 7890 |
Ionization Type | EI |
Literature Reference DOI | 10.1016/j.fochx.2022.100224 |
Molecular Weight | 674.756 g/mol |
Quality | 455 |
SMILES | NCC(N[C@](C(=O)N[C@](C(N[C@@](CC(=O)N)(C(=O)N1[C@@](CCC1)(C(=O)NCC(N[C@](C(=O)O)(C)[H])=O)[H])[H])=O)(CC1=CC=CC=C1)[H])(CC(C)C)[H])=O |
SPLASH | splash10-00di-3910000000-12fc1357d0954b647745 |
Source of Spectrum | FCX-13-SM1-GLFNPGA (DOI: 10.1016/j.fochx.2022.100224) |
Wiley ID | 1909586 |