| SpectraBase Spectrum ID |
JhhmdT4lKkx |
| Name |
16-menbered cyclic peptide |
| Alternate Name(s) |
Ethyl (8R,11S,14R)-14-[(tert-butoxycarbonyl)amino]-4-methoxy-11-(4-methoxyphenyl)-10,13-dioxo-2-oxa-9,12-diazatricyclo[14.2.2.1(3,7)]henicosa-1(18),3(21),4,6,16,19-hexaene-8-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H39N3O9 |
| InChI |
InChI=1S/C34H39N3O9/c1-7-44-32(40)29-22-12-17-26(43-6)27(19-22)45-24-13-8-20(9-14-24)18-25(35-33(41)46-34(2,3)4)30(38)36-28(31(39)37-29)21-10-15-23(42-5)16-11-21/h8-17,19,25,28-29H,7,18H2,1-6H3,(H,35,41)(H,36,38)(H,37,39)/t25-,28+,29?/m1/s1 |
| InChIKey |
JBEUALJQMZPTSK-RUOUSHNOSA-N |
| Molecular Weight |
633.698 g/mol |
| SMILES |
N1C(c2cc(Oc3ccc(C[C@](C(N[C@](C1=O)(c1ccc(cc1)OC)[H])=O)(NC(OC(C)(C)C)=O)[H])cc3)c(cc2)OC)C(=O)OCC |
| SPLASH |
splash10-001l-0000890000-5ccdebd1b910aab77922 |
| Source of Spectrum |
J-60-7160-4 |
| Wiley ID |
1412248 |
