| Properties | Image |
|---|
| MNX_ID | MNXM168861 |
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| reference | sabiorkM:29760 |
| formula | C29H41N7O5S |
| global charge | 0 |
| mol weight | 599.758 |
| InChIKey | QXYYONMTJKILDK-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H41N7O5S/c1-42-16-14-23(34-25(37)21(30)17-19-9-4-2-5-10-19)27(39)35-22(13-8-15-33-29(31)32)26(38)36-24(28(40)41)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)(H4,31,32,33) |
| SMILES | CSCCC(N=C(O)C(N)CC1=CC=CC=C1)C(O)=NC(CCCNC(=N)N)C(O)=NC(CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H41N7O5S/c1-42-16-14-23(34-25(37)21(30)17-19-9-4-2-5-10-19)27(39)35-22(13-8-15-33-29(31)32)26(38)36-24(28(40)41)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)(H4,31,32,33)/t21?,22?,23?,24? |
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| SMILES (mnx) | [CH3:1][S:42][CH2:16][CH2:14][CH:23]([C:27](=[N:35][CH:22]([CH2:13][CH2:8][CH2:15][NH:33][C:29](=[NH:31])[NH2:32])[C:26](=[N:36][CH:24]([CH2:18][C:20]1=[CH:11][CH:6]=[CH:3][CH:7]=[CH:12]1)[C:28](=[O:40])[OH:41])[OH:38])[OH:39])[N:34]=[C:25]([CH:21]([CH2:17][C:19]1=[CH:9][CH:4]=[CH:2][CH:5]=[CH:10]1)[NH2:30])[OH:37] |
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