N-[(6S,7S)-13-(4-methoxyphenyl)-2,8-dioxo-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-6-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
AlkaPlorer ID: AK437344
Synonym: None
IUPAC Name: N-[(6aS,7S)-2-(4-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-4-methylthiadiazole-5-carboxamide
Structure
SMILES: COC1=CC=C(C2=CC=C3NC(=O)[C@@H]4[C@@H](NC(=O)C5=C(C)N=NS5)CCN4C(=O)C3=C2)C=C1
InChI: InChI=1S/C23H21N5O4S/c1-12-20(33-27-26-12)22(30)25-18-9-10-28-19(18)21(29)24-17-8-5-14(11-16(17)23(28)31)13-3-6-15(32-2)7-4-13/h3-8,11,18-19H,9-10H2,1-2H3,(H,24,29)(H,25,30)/t18-,19-/m0/s1
InChIKey: KSDXYYKGWXAKQV-OALUTQOASA-N
Reference
Antibacterial Labdane Diterpenoids from <i>Vitex vestita</i>
PubChem CID: 40467452
SuperNatural Ⅲ: SN0193967-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 463.5190000000002
TPSA？: 113.52
MolLogP？: 2.4873200000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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