| SpectraBase Spectrum ID |
7xdhycXAY0Z |
| Name |
(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,14,14-tetramethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid |
| Compound Number |
1 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C30H39N5O7S2 |
| InChI |
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1 |
| InChIKey |
MCMMCRYPQBNCPH-WMIMKTLMSA-N |
| Literature Reference Author |
N.COLLINS,J.L.FLIPPEN-ANDERSON,R.C.HAASETH,J.R.DESCHAMPS,C.G
EORGE,K.KOEVER,V.J.H |
| Literature Reference Citation |
J.AM.CHEM.SOC.,118,2143(1996) |
| Literature Reference DOI |
10.1021/ja9531081 |
| Molecular Weight |
645.789 g/mol |
| Sample ID |
56501 |
| Solvent |
DMSO-D6 |
![(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,14,14-tetramethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid](/api/spectrum/7xdhycXAY0Z/structure.png?h=300&w=458 "(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,14,14-tetramethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid")
