Molecule

Piricyclamide ILGEGEGWNYNP

AlkaPlorer ID: AK004023

Synonym: None

IUPAC Name: 3-[(3S,6S,9S,12S,18S,24S,30S,33S,36S)-3,9-bis(2-amino-2-oxoethyl)-33-[(2S)-butan-2-yl]-24-(2-carboxyethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-30-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[34.3.0]nonatriacontan-18-yl]propanoic acid

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=N)O)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)CN=C(O)[C@H](CCC(=O)O)N=C(O)CN=C(O)[C@H](CCC(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C1O

InChI: InChI=1S/C61H83N15O19/c1-5-31(4)52-60(94)73-39(21-30(2)3)55(89)67-28-48(81)69-37(16-18-50(83)84)53(87)65-27-47(80)68-38(17-19-51(85)86)54(88)66-29-49(82)70-41(23-33-26-64-36-10-7-6-9-35(33)36)57(91)72-42(24-45(62)78)58(92)71-40(22-32-12-14-34(77)15-13-32)56(90)74-43(25-46(63)79)61(95)76-20-8-11-44(76)59(93)75-52/h6-7,9-10,12-15,26,30-31,37-44,52,64,77H,5,8,11,16-25,27-29H2,1-4H3,(H2,62,78)(H2,63,79)(H,65,87)(H,66,88)(H,67,89)(H,68,80)(H,69,81)(H,70,82)(H,71,92)(H,72,91)(H,73,94)(H,74,90)(H,75,93)(H,83,84)(H,85,86)/t31-,37-,38-,39-,40-,41-,42-,43-,44-,52-/m0/s1

InChIKey: VXLIRYSYDRDOHA-NXXCQYBTSA-N

Reference

Analysis of an Inactive Cyanobactin Biosynthetic Gene Cluster Leads to Discovery of New Natural Products from Strains of the Genus Microcystis

PubChem CID: 146684887

LOTUS: LTS0167812

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NPAtlas: NPA028872

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Microcystis aeruginosa	Microcystis	Microcystaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 1330.4209999999998

TPSA？: 577.5800000000002

MolLogP？: 6.806140000000013

Number of H-Donors: 19

Number of H-Acceptors: 17

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi