![{2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-alanyl-L-valine Benzyl Ester](/api/spectrum/FmGoOJMStXv/structure.png?h=300&w=458 "{2-[(S)-2-Oxo-4-phenylazetidin-1-yl]acetyl}-L-alanyl-L-valine Benzyl Ester")
| SpectraBase Compound ID | FqBQPwvcEKf |
|---|---|
| InChI | InChI=1S/C52H60N6O10/c1-31(2)47(55-49(63)33(5)53-43(59)27-57-41(25-45(57)61)39-13-9-7-10-14-39)51(65)67-29-35-17-21-37(22-18-35)38-23-19-36(20-24-38)30-68-52(66)48(32(3)4)56-50(64)34(6)54-44(60)28-58-42(26-46(58)62)40-15-11-8-12-16-40/h7-24,31-34,41-42,47-48H,25-30H2,1-6H3,(H,53,59)(H,54,60)(H,55,63)(H,56,64) |
| InChIKey | PEKYQESOTFMQOM-UHFFFAOYSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C52H60N6O10 |
| Exact Mass | 928.437092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmGoOJMStXv |
|---|---|
| Name | [2-[(S)-2-OXO-4-PHENYLAZETIDIN-1-YL]-ACETYL]-L-ALANYL-L-VALINE-BENZYLESTER |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H60N6O10 |
| InChI | InChI=1S/C52H60N6O10/c1-31(2)47(55-49(63)33(5)53-43(59)27-57-41(25-45(57)61)39-13-9-7-10-14-39)51(65)67-29-35-17-21-37(22-18-35)38-23-19-36(20-24-38)30-68-52(66)48(32(3)4)56-50(64)34(6)54-44(60)28-58-42(26-46(58)62)40-15-11-8-12-16-40/h7-24,31-34,41-42,47-48H,25-30H2,1-6H3,(H,53,59)(H,54,60)(H,55,63)(H,56,64) |
| InChIKey | PEKYQESOTFMQOM-UHFFFAOYSA-N |
| Literature Reference Author | K.ACHILLES,T.SCHIRMEISTER,H.H.OTTO |
| Literature Reference Citation | ARCH.PHARM.,333,243(2000) |
| Literature Reference DOI | 10.1002/1521-4184(20008)333:8<243::aid-ardp243>3.3.co;2-f |
| Molecular Weight | 929.083 g/mol |
| Solvent | CDCl3 |