| SpectraBase Spectrum ID |
ANNR6rKcYPO |
| Name |
Microcolin A |
| Alternate Name(s) |
Acetic acid [(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyl-1-oxooctyl]-methylamino]-4-methyl-1-oxopentyl]amino]-4-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] ester
[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
[(1R,2S)-2-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]-methyl-amino]-1-methyl-3-oxo-propyl] acetate
[(2R,3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-4-[methyl-[(2S)-3-methyl-1-[(2S,4S)-2-[[(2S)-2-methyl-5-oxidanylidene-2H-pyrrol-1-yl]carbonyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butan-2-yl] ethanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H65N5O9 |
| InChI |
InChI=1S/C39H65N5O9/c1-13-14-15-24(6)19-25(7)36(49)41(11)30(18-22(2)3)35(48)40-33(27(9)53-28(10)45)38(51)42(12)34(23(4)5)39(52)43-21-29(46)20-31(43)37(50)44-26(8)16-17-32(44)47/h16-17,22-27,29-31,33-34,46H,13-15,18-21H2,1-12H3,(H,40,48)/t24-,25-,26+,27-,29+,30+,31+,33+,34+/m1/s1 |
| InChIKey |
MSXKGFVHTYHBSG-PLBHUYDJSA-N |
| Molecular Weight |
747.975 g/mol |
| SMILES |
N([C@](C(N([C@](C(N1C[C@](C[C@]1(C(N1C(C=C[C@@]1(C)[H])=O)=O)[H])(O)[H])=O)(C(C)C)[H])C)=O)([C@](OC(=O)C)(C)[H])[H])C([C@@](N(C([C@@](C[C@@](CCCC)(C)[H])(C)[H])=O)C)(CC(C)C)[H])=O |
| SPLASH |
splash10-0udi-0960200000-883339442c274b2e2dfb |
| Source of Spectrum |
X2-55-618-1 |
| Wiley ID |
1604456 |
