Molecule

TMC-2B

AlkaPlorer ID: AK043385

Synonym: '', 'TMC 2C', 'TMC 2B'

IUPAC Name: (2S,4S)-2-[[(3S)-2-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-methylpentanoic acid

Structure

SMILES: COC1=C(O)C=C2C[C@@H](C(O)=N[C@@H](C[C@H](C)CO)C(=O)O)N(C(=O)[C@H](N)CC3=CNC4=CC=CC=C34)CC2=C1O

InChI: InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14-,19+,21-,22-/m0/s1

InChIKey: WVYIXBYYAHYOIW-ZAIHJIDKSA-N

Reference

TMC-2A, -2B and -2C, Novel Dipeptidyl Peptidase IV Inhibitors Produced by Aspergillus oryzae A374. I.Taxonomy of Producing Strains, Fermentation, and Biochemical Properties.

PubChem CID: 163033465

LOTUS: LTS0190551

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus oryzae	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 554.6000000000003

TPSA？: 201.93

MolLogP？: 1.8392000000000004

Number of H-Donors: 7

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi