| SpectraBase Compound ID | 3WUakAT4GXh |
|---|---|
| InChI | InChI=1S/C30H36N4O6/c1-18(2)27(34-29(39)22-13-12-20-8-4-5-9-21(20)14-22)30(40)32-19(3)28(38)33-24(15-26(36)37)17-31-16-23-10-6-7-11-25(23)35/h4-14,18-19,24,27,31,35H,15-17H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t19-,24+,27-/m0/s1 |
| InChIKey | AOPITLRPPVSGCD-MATUZCBOSA-N |
| Mol Weight | 548.6 g/mol |
| Molecular Formula | C30H36N4O6 |
| Exact Mass | 548.263485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnIcrsEK6is |
|---|---|
| Name | (S)-3-((S)-2-((S)-2-(2-NAPHTHYAMIDO)-3-METHYLBUTANAMIDO)-PROPANAMIDO)-4-(2-HYDROXY)-BENZYLAMINOBUTANOIC_ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H36N4O6 |
| InChI | InChI=1S/C30H36N4O6/c1-18(2)27(34-29(39)22-13-12-20-8-4-5-9-21(20)14-22)30(40)32-19(3)28(38)33-24(15-26(36)37)17-31-16-23-10-6-7-11-25(23)35/h4-14,18-19,24,27,31,35H,15-17H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t19-,24+,27-/m0/s1 |
| InChIKey | AOPITLRPPVSGCD-MATUZCBOSA-N |
| Literature Reference Author | R.LOESER,G.ABBENANTE,P.K.MADALA,M.HALILI,G.T.LE,D.P.FAIRLIE |
| Literature Reference Citation | J.MED.CHEM.,53,2651(2010) |
| Literature Reference DOI | 10.1021/jm901790w |
| Molecular Weight | 548.639 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ46577 |