Molecule

(1R,5R,6R)-3-(carbamoylmethylcarbamoyl)-6-hydroxy-5-(4-methylbenzamido)cyclohex-3-en-1-yl N-(prop-2-en-1-yl)carbamate

AlkaPlorer ID: AK253785

Synonym: None

IUPAC Name: [(1R,5S,6R)-3-[(2-amino-2-oxoethyl)carbamoyl]-6-hydroxy-5-[(4-methylbenzoyl)amino]cyclohex-3-en-1-yl] N-prop-2-enylcarbamate

Structure

SMILES: C=CCNC(=O)O[C@@H]1CC(C(=O)NCC(N)=O)=C[C@H](NC(=O)C2=CC=C(C)C=C2)[C@H]1O

InChI: InChI=1S/C21H26N4O6/c1-3-8-23-21(30)31-16-10-14(19(28)24-11-17(22)26)9-15(18(16)27)25-20(29)13-6-4-12(2)5-7-13/h3-7,9,15-16,18,27H,1,8,10-11H2,2H3,(H2,22,26)(H,23,30)(H,24,28)(H,25,29)/t15-,16+,18+/m0/s1

InChIKey: AWFZLYODNNWCEF-LZLYRXPVSA-N

Reference

Furan and Lactam Jadomycin Biosynthetic Congeners Isolated from Streptomyces venezuelae ISP5230 Cultured with Nε-Trifluoroacetyl-<scp>l</scp>-lysine

PubChem CID: 162808876

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 430.46100000000007

TPSA？: 159.84999999999997

MolLogP？: -0.3332799999999977

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi