| Properties | Image |
|---|
| MNX_ID | MNXM160932 |
 |
| reference | chebi:87402 |
| formula | C34H27N5O8S |
| global charge | 0 |
| mol weight | 665.684 |
| InChIKey | SGORHDMZLHXJRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H27N5O8S/c1-46-26-12-19-14(9-24(26)40)8-20(35-19)32(43)38-6-4-15-17-10-21(36-27(17)25(41)13-23(15)38)33(44)39-7-5-16-18-11-22(34(45)48-3)37-28(18)31(47-2)30(42)29(16)39/h4,6,8-13,35-37,40-42H,5,7H2,1-3H3 |
| SMILES | COC1=CC2=C(C=C1O)C=C(C(=O)N1C=CC3=C1C=C(O)C1=C3C=C(C(=O)N3CCC4=C5C=C(C(=O)SC)NC5=C(OC)C(O)=C43)N1)N2 |
MNX internals
| InChI (mnx) | InChI=1/C34H27N5O8S/c1-46-26-12-19-14(9-24(26)40)8-20(35-19)32(43)38-6-4-15-17-10-21(36-27(17)25(41)13-23(15)38)33(44)39-7-5-16-18-11-22(34(45)48-3)37-28(18)31(47-2)30(42)29(16)39/h4,6,8-13,35-37,40-42H,5,7H2,1-3H3 |
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| SMILES (mnx) | [CH3:1][O:46][C:26]1=[C:24]([OH:40])[CH:9]=[C:14]2[CH:8]=[C:20]([C:32]([N:38]3[CH:6]=[CH:4][C:15]4=[C:17]5[CH:10]=[C:21]([C:33]([N:39]6[CH2:7][CH2:5][C:16]7=[C:29]6[C:30]([OH:42])=[C:31]([O:47][CH3:2])[C:28]6=[C:18]7[CH:11]=[C:22]([C:34](=[O:45])[S:48][CH3:3])[NH:37]6)=[O:44])[NH:36][C:27]5=[C:25]([OH:41])[CH:13]=[C:23]43)=[O:43])[NH:35][C:19]2=[CH:12]1 |
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