Molecule

N-[(10Z)-7-[(1H-indol-3-yl)methyl]-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)pentanamide

AlkaPlorer ID: AK440183

Synonym: None

IUPAC Name: (2S,3S)-N-[(3S,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)pentanamide

Structure

SMILES: CC[C@H](C)[C@H](NC)C(O)=N[C@@H]1C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=N/C=C\C2=CC=C(C=C2)O[C@H]1C(C)C

InChI: InChI=1S/C32H41N5O4/c1-6-20(4)27(33-5)31(39)37-28-29(19(2)3)41-23-13-11-21(12-14-23)15-16-34-30(38)26(36-32(28)40)17-22-18-35-25-10-8-7-9-24(22)25/h7-16,18-20,26-29,33,35H,6,17H2,1-5H3,(H,34,38)(H,36,40)(H,37,39)/b16-15-/t20-,26-,27-,28-,29-/m0/s1

InChIKey: KYQXCBBTHKLTLT-CQXAISEYSA-N

Reference

Discarin-I, ein neues Peptidalkaloid aus Discaria febrifuga Martius / Discarine-I, a New Peptide Alkaloid from Discaria febrifuga Martius

PubChem CID: 163189208

LOTUS: LTS0139520

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Discaria americana	Discaria	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 559.7110000000001

TPSA？: 134.82

MolLogP？: 6.039100000000004

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi