![N-(1-(8-Nitropyrenesulfonyl)]-L-alanine-L-alanyl-L-tryptophan Ethyl Ester](/api/spectrum/JdYsP4nr2B3/structure.png?h=300&w=458 "N-(1-(8-Nitropyrenesulfonyl)]-L-alanine-L-alanyl-L-tryptophan Ethyl Ester")
| SpectraBase Compound ID | DRqbP49LEaQ |
|---|---|
| InChI | InChI=1S/C35H33N5O8S/c1-4-48-35(43)28(16-23-18-36-27-11-6-5-10-24(23)27)38-33(41)19(2)37-34(42)20(3)39-49(46,47)30-17-22-9-7-8-21-12-13-25-29(40(44)45)15-14-26(30)32(25)31(21)22/h5-15,17-20,28,36,39H,4,16H2,1-3H3,(H,37,42)(H,38,41)/t19-,20+,28+/m1/s1 |
| InChIKey | OOTBDACURRXSTM-HNPLUWAHSA-N |
| Mol Weight | 683.7 g/mol |
| Molecular Formula | C35H33N5O8S |
| Exact Mass | 683.204984 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JdYsP4nr2B3 |
|---|---|
| Name | N-(1-(8-Nitropyrenesulfonyl)]-L-alanine-L-alanyl-L-tryptophan Ethyl Ester |
| Alternate Name(s) | (S)-3-(1H-Indol-3-yl)-2-{(R)-2-[(S)-2-(1-nitro-pyrene-4-sulfonylamino)-propionylamino]-propionylamino}-propionic acid ethyl ester Ethyl 3-(1H-indol-3-yl)-2-({2-[(2-{[(1-nitro-4-pyrenyl)sulfonyl]amino}propanoyl)amino]propanoyl}amino)propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H33N5O8S |
| InChI | InChI=1S/C35H33N5O8S/c1-4-48-35(43)28(16-23-18-36-27-11-6-5-10-24(23)27)38-33(41)19(2)37-34(42)20(3)39-49(46,47)30-17-22-9-7-8-21-12-13-25-29(40(44)45)15-14-26(30)32(25)31(21)22/h5-15,17-20,28,36,39H,4,16H2,1-3H3,(H,37,42)(H,38,41)/t19-,20+,28+/m1/s1 |
| InChIKey | OOTBDACURRXSTM-HNPLUWAHSA-N |
| Molecular Weight | 683.736 g/mol |
| SMILES | N(S(c1c2c3c(ccc4c3c(c1)ccc4)c(N(=O)=O)cc2)(=O)=O)[C@](C(N[C@@](C(N[C@@](Cc1c[nH]c2c1cccc2)(C(=O)OCC)[H])=O)(C)[H])=O)(C)[H] |
| SPLASH | splash10-001i-9630000000-e33ca8a5aa7da976a6e4 |
| Source of Spectrum | J-63-8945-0 |
| Wiley ID | 1414439 |