| Properties | Image |
|---|
| MNX_ID | MNXM1173155 |
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| reference | envipathM:...08bc7e9151f5 |
| formula | C27H37N3O5 |
| global charge | 0 |
| mol weight | 483.609 |
| InChIKey | AOPSEPUJMYDVMG-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H37N3O5/c1-6-7-8-13-24(17(2)31)35-25(33)16-23(32)18-14-19(27(3,4)5)26(34)22(15-18)30-28-20-11-9-10-12-21(20)29-30/h9-12,14-15,17,23-24,31-32,34H,6-8,13,16H2,1-5H3 |
| SMILES | CCCCCC(OC(=O)CC(O)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C(C(C)(C)C)=C1)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C27H37N3O5/c1-6-7-8-13-24(17(2)31)35-25(33)16-23(32)18-14-19(27(3,4)5)26(34)22(15-18)30-28-20-11-9-10-12-21(20)29-30/h9-12,14-15,17,23-24,31-32,34H,6-8,13,16H2,1-5H3/t17?,23?,24? |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:13][CH:24]([CH:17]([CH3:2])[OH:31])[O:35][C:25]([CH2:16][CH:23]([C:18]1=[CH:14][C:19]([C:27]([CH3:3])([CH3:4])[CH3:5])=[C:26]([OH:34])[C:22]([N:30]2[N:28]=[C:20]3[CH:11]=[CH:9][CH:10]=[CH:12][C:21]3=[N:29]2)=[CH:15]1)[OH:32])=[O:33] |
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