| Properties | Image |
|---|
| MNX_ID | MNXM1190612 |
 |
| reference | envipathM:...496841d94c9c |
| formula | C27H29ClN5O7 |
| global charge | -1 |
| mol weight | 571.01 |
| InChIKey | ILUVWJIZSDKSEE-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H30ClN5O7/c1-7-32(16(4)34)27(39)40-25-22(15(3)30-31(25)6)23(35)19-11-12-20(29-5)21(14(19)2)24(36)33(26(37)38)18-10-8-9-17(28)13-18/h8-13,16,29,34H,7H2,1-6H3,(H,37,38)/p-1 |
| SMILES | CCN(C(=O)OC1=C(C(=O)C2=CC=C(NC)C(C(=O)N(C(=O)[O-])C3=CC(Cl)=CC=C3)=C2C)C(C)=NN1C)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C27H30ClN5O7/c1-7-32(16(4)34)27(39)40-25-22(15(3)30-31(25)6)23(35)19-11-12-20(29-5)21(14(19)2)24(36)33(26(37)38)18-10-8-9-17(28)13-18/h8-13,16,29,34H,7H2,1-6H3,(H,37,38)/t16? |
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| SMILES (mnx) | [CH3:1][CH2:7][N:32]([CH:16]([CH3:4])[OH:34])[C:27](=[O:39])[O:40][C:25]1=[C:22]([C:23]([C:19]2=[C:14]([CH3:2])[C:21]([C:24]([N:33]([C:18]3=[CH:10][CH:8]=[CH:9][C:17]([Cl:28])=[CH:13]3)[C:26](=[O:37])[OH:38])=[O:36])=[C:20]([NH:29][CH3:5])[CH:12]=[CH:11]2)=[O:35])[C:15]([CH3:3])=[N:30][N:31]1[CH3:6] |
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