| Properties | Image |
|---|
| MNX_ID | MNXM42998 |
 |
| reference | chebi:51828 |
| formula | C40H57ClN6O7S |
| global charge | 0 |
| mol weight | 801.451 |
| InChIKey | OESVESDBWSQUNE-UHFFFAOYSA-O |
| InChI | InChI=1S/C40H56N6O3S.ClO4/c1-40(2)31-24-30(45(3)4)17-16-27(31)22-29-23-28-12-10-20-46(34(28)25-32(29)40)21-11-15-37(48)42-19-9-5-8-18-41-36(47)14-7-6-13-35-38-33(26-50-35)43-39(49)44-38;2-1(3,4)5/h16-17,22-25,33,35,38H,5-15,18-21,26H2,1-4H3,(H3-,41,42,43,44,47,48,49);/q;-1/p+1 |
| SMILES | CN(C)C1=CC=C2C=C3C=C4CCC[N+](CCCC(=O)NCCCCCNC(=O)CCCCC5SCC6NC(=O)NC65)=C4C=C3C(C)(C)C2=C1.[O-][Cl+3]([O-])([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C40H56N6O3S.ClO4/c1-40(2)31-24-30(45(3)4)17-16-27(31)22-29-23-28-12-10-20-46(34(28)25-32(29)40)21-11-15-37(48)42-19-9-5-8-18-41-36(47)14-7-6-13-35-38-33(26-50-35)43-39(49)44-38;2-1(3,4)5/h16-17,22-25,33,35,38H,5-15,18-21,26H2,1-4H3,(H3-,41,42,43,44,47,48,49);/q;-1/p+1/t33?,35?,38?; |
 |
| SMILES (mnx) | [CH3:1][C:40]1([CH3:2])[C:31]2=[CH:24][C:30]([N:45]([CH3:3])[CH3:4])=[CH:17][CH:16]=[C:27]2[CH:22]=[C:29]2[CH:23]=[C:28]3[CH2:12][CH2:10][CH2:20][N+:46]([CH2:21][CH2:11][CH2:15][C:37](=[N:42][CH2:19][CH2:9][CH2:5][CH2:8][CH2:18][N:41]=[C:36]([CH2:14][CH2:7][CH2:6][CH2:13][CH:35]4[CH:38]5[CH:33]([CH2:26][S:50]4)[N:43]=[C:39]([OH:49])[NH:44]5)[OH:47])[OH:48])=[C:34]3[CH:25]=[C:32]21.[Cl+3:51]([O-:52])([O-:53])([O-:54])[O-:55] |
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