| Properties | Image |
MNX_ID | MNXM527721 |
 |
reference | chebi:90612 |
formula | C27H30N4O3 |
global charge | 0 |
mol weight | 458.562 |
InChIKey | XNTZVXIZBNJULD-NWVWQQAFSA-N |
InChI | InChI=1S/C27H30N4O3/c1-18(28)25(32)30-23(16-19-8-3-2-4-9-19)27(34)31-15-7-12-24(31)26(33)29-22-14-13-20-10-5-6-11-21(20)17-22/h2-6,8-11,13-14,17-18,23-24H,7,12,15-16,28H2,1H3,(H,29,33)(H,30,32)/t18-,23-,24-/m0/s1 |
SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C2C=CC=CC2=C1 |
MNX internals
InChI (mnx) | InChI=1/C27H30N4O3/c1-18(28)25(32)30-23(16-19-8-3-2-4-9-19)27(34)31-15-7-12-24(31)26(33)29-22-14-13-20-10-5-6-11-21(20)17-22/h2-6,8-11,13-14,17-18,23-24H,7,12,15-16,28H2,1H3,(H,29,33)(H,30,32)/t18-,23-,24-/m0/s1 |
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SMILES (mnx) | [CH3:1][C@@H:18]([C:25](=[N:30][C@@H:23]([CH2:16][C:19]1=[CH:8][CH:3]=[CH:2][CH:4]=[CH:9]1)[C:27]([N:31]1[CH2:15][CH2:7][CH2:12][C@H:24]1[C:26](=[N:29][C:22]1=[CH:17][C:21]2=[CH:11][CH:6]=[CH:5][CH:10]=[C:20]2[CH:13]=[CH:14]1)[OH:33])=[O:34])[OH:32])[NH2:28] |
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