| Properties | Image |
|---|
| MNX_ID | MNXM1132186 |
 |
| reference | metacycM:CPD-22728 |
| formula | C33H54N5O9 |
| global charge | -1 |
| mol weight | 664.821 |
| InChIKey | BRVLNZPFGHKEHG-UKILVPOCSA-M |
| InChI | InChI=1S/C33H55N5O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-28(42)37-25(20-27(34)41)32(47)36-23(2)15-16-24(39)19-30(44)38-33(17-18-33)26(40)21-29(43)35-22-31(45)46/h23,25H,3-22H2,1-2H3,(H2,34,41)(H,35,43)(H,36,47)(H,37,42)(H,38,44)(H,45,46)/p-1/t23-,25+/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)CCC(=O)CC(=O)NC1(C(=O)CC(=O)NCC(=O)[O-])CC1 |
MNX internals
| InChI (mnx) | InChI=1/C33H55N5O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-28(42)37-25(20-27(34)41)32(47)36-23(2)15-16-24(39)19-30(44)38-33(17-18-33)26(40)21-29(43)35-22-31(45)46/h23,25H,3-22H2,1-2H3,(H2,34,41)(H,35,43)(H,36,47)(H,37,42)(H,38,44)(H,45,46)/t23-,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:28](=[N:37][C@H:25]([CH2:20][C:27](=[NH:34])[OH:41])[C:32](=[N:36][C@@H:23]([CH3:2])[CH2:15][CH2:16][C:24]([CH2:19][C:30](=[N:38][C:33]1([C:26]([CH2:21][C:29](=[N:35][CH2:22][C:31](=[O:45])[OH:46])[OH:43])=[O:40])[CH2:17][CH2:18]1)[OH:44])=[O:39])[OH:47])[OH:42] |
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