N-[(1R,5R,6R)-3-[(2-carbamoylethyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-4-methylbenzamide
AlkaPlorer ID: AK154651
Synonym: None
IUPAC Name: N-[(1R,5R,6R)-3-[(3-amino-3-oxopropyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-4-methylbenzamide
Structure
SMILES: CC1=CC=C(C(=O)N[C@@H]2C=C(C(=O)NCCC(N)=O)C[C@@H](O)[C@@H]2O)C=C1
InChI: InChI=1S/C18H23N3O5/c1-10-2-4-11(5-3-10)18(26)21-13-8-12(9-14(22)16(13)24)17(25)20-7-6-15(19)23/h2-5,8,13-14,16,22,24H,6-7,9H2,1H3,(H2,19,23)(H,20,25)(H,21,26)/t13-,14-,16-/m1/s1
InChIKey: MYJYMLXARCOURY-IIAWOOMASA-N
Reference
Cytotoxic ellagitannins from Reaumuria vermiculata
PubChem CID: 11865675
SuperNatural Ⅲ: SN0238719-02
Source
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Properties Information
Molecule Weight: 361.3980000000001
TPSA？: 141.75
MolLogP？: -0.8630799999999987
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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