| SpectraBase Spectrum ID |
9HCX2jnNw1w |
| Name |
(4S,7S,10S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,10,14,14-pentamethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid |
| Compound Number |
2 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C31H41N5O7S2 |
| InChI |
InChI=1S/C31H41N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t17-,21-,22-,23-,24-/m0/s1 |
| InChIKey |
MHBICIILIUROKI-KELSAIANSA-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 |
659.816 g/mol |
| Sample ID |
56502 |
| Solvent |
DMSO-D6 |
![(4S,7S,10S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,10,14,14-pentamethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid](/api/spectrum/9HCX2jnNw1w/structure.png?h=300&w=458 "(4S,7S,10S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(benzyl)-6,9,12-triketo-3,3,10,14,14-pentamethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid")
