3-((3S,6S,9S,14aR)-9-(sec-butyl)-6-(4-hydroxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)propanoic acid
Chemical Info
InChI | InChI=1S/C25H34N4O7/c1-3-14(2)21-25(36)29-12-4-5-19(29)24(35)26-17(10-11-20(31)32)22(33)27-18(23(34)28-21)13-15-6-8-16(30)9-7-15/h6-9,14,17-19,21,30H,3-5,10-13H2,1-2H3,(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t14?,17-,18-,19+,21-/m0/s1 |
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SMILES | CCC(C)[C@@H]1N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H]2CCCN2C1=O |
InChI Key | XKOXVLDNALOEPV-OPFZVLEESA-N |
Molecular Formula | C25H34N4O7 |
Exact Mass | 502.568 g/mol |
Data and Resources
Related Resources
This dataset related as HasPart to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N/CHMO0000595
This dataset related as HasPart to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N/CHMO0000593
This dataset related as HasPart to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N/CHMO0001009
This dataset related as HasPart to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N/CHMO0000470
This dataset related as HasPart to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N/CHMO0001150
This dataset related as HasPart to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N/CHMO0001146
This dataset related as IsPartOf to https://dx.doi.org/10.14272/reaction/SA-FUHFF-UHFFFADPSC-XKOXVLDNAL-UHFFFADPSC-NUHFF-NMBEL-NUHFF-ZZZ
Metadata Information
Field | Value |
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DOI | |
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Author | Herlan, Claudine |
Maintainer | chemotion.net |
Language | en |
MetadataCreated | 2022-10-06T16:32:03.009863 |
MetadataModified | 2022-10-06T16:32:03.009869 |
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