| Properties | Image |
|---|
| MNX_ID | MNXM164228 |
 |
| reference | metacycM:CPD-18437 |
| formula | C31H46N6O8 |
| global charge | 0 |
| mol weight | 630.743 |
| InChIKey | IDANITFECICAJB-MPKZYAHHSA-N |
| InChI | InChI=1S/C31H46N6O8/c1-15(2)23-30(43)37-13-9-10-20(37)29(42)35(7)14-21(38)36(8)25(16(3)4)31(44)45-18(6)24(28(41)33-23)34-27(40)19-12-11-17(5)26(39)22(19)32/h11-12,15-16,18,20,23-25,39H,9-10,13-14,32H2,1-8H3,(H,33,41)(H,34,40)/t18-,20+,23-,24+,25+/m1/s1 |
| SMILES | CC1=CC=C(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)C(N)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C31H46N6O8/c1-15(2)23-30(43)37-13-9-10-20(37)29(42)35(7)14-21(38)36(8)25(16(3)4)31(44)45-18(6)24(28(41)33-23)34-27(40)19-12-11-17(5)26(39)22(19)32/h11-12,15-16,18,20,23-25,39H,9-10,13-14,32H2,1-8H3,(H,33,41)(H,34,40)/t18-,20+,23-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@@H:23]1[C:30](=[O:43])[N:37]2[CH2:13][CH2:9][CH2:10][C@H:20]2[C:29](=[O:42])[N:35]([CH3:7])[CH2:14][C:21](=[O:38])[N:36]([CH3:8])[C@@H:25]([CH:16]([CH3:3])[CH3:4])[C:31](=[O:44])[O:45][C@H:18]([CH3:6])[C@H:24]([N:34]=[C:27]([C:19]2=[C:22]([NH2:32])[C:26]([OH:39])=[C:17]([CH3:5])[CH:11]=[CH:12]2)[OH:40])[C:28]([OH:41])=[N:33]1 |
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