Molecule

methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

AlkaPlorer ID: AK459800

Synonym: None

IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

Structure

SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H]1CN(C(=O)NC2=CC=CC=C2)CCN1C(=O)NC1CCCCC1

InChI: InChI=1S/C31H38N6O5/c1-42-29(39)26(18-21-19-32-25-15-9-8-14-24(21)25)35-28(38)27-20-36(30(40)33-22-10-4-2-5-11-22)16-17-37(27)31(41)34-23-12-6-3-7-13-23/h2,4-5,8-11,14-15,19,23,26-27,32H,3,6-7,12-13,16-18,20H2,1H3,(H,33,40)(H,34,41)(H,35,38)/t26-,27+/m1/s1

InChIKey: MSDMEPHCWUOIKW-SXOMAYOGSA-N

Reference

New Natural Epothilones from Sorangium cellulosum, Strains So ce90/B2 and So ce90/D13: Isolation, Structure Elucidation, and SAR Studies

PubChem CID: 7127868

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 574.6819999999999

TPSA？: 135.87

MolLogP？: 3.628800000000001

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi