Molecule

Piricyclamide 7005E3

AlkaPlorer ID: AK003764

Synonym: None

IUPAC Name: 3-[(6S,9S,12S,18S,21S,24S,27S,30R,33S,36S)-33-(2-amino-2-oxoethyl)-21-(3-amino-3-oxopropyl)-27-benzyl-18-[(1R)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-24-(2-methylsulfanylethyl)-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-30-yl]propanoic acid

Structure

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

InChI: InChI=1S/C56H78N14O20S/c1-28(73)46-56(90)59-24-43(77)61-39(27-72)54(88)66-36(22-30-10-12-31(74)13-11-30)52(86)68-38(26-71)47(81)60-25-44(78)70-19-6-9-40(70)55(89)67-37(23-42(58)76)53(87)63-33(15-17-45(79)80)48(82)65-35(21-29-7-4-3-5-8-29)51(85)64-34(18-20-91-2)49(83)62-32(50(84)69-46)14-16-41(57)75/h3-5,7-8,10-13,28,32-40,46,71-74H,6,9,14-27H2,1-2H3,(H2,57,75)(H2,58,76)(H,59,90)(H,60,81)(H,61,77)(H,62,83)(H,63,87)(H,64,85)(H,65,82)(H,66,88)(H,67,89)(H,68,86)(H,69,84)(H,79,80)/t28-,32+,33-,34+,35+,36+,37+,38+,39+,40+,46+/m1/s1

InChIKey: PNRDFSRRPWPQQW-USHKVLGESA-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: 146684883

LOTUS: LTS0256365

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NPAtlas: NPA028868

Source

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

Properties Information

Molecule Weight: 1299.3850000000004

TPSA？: 585.1800000000003

MolLogP？: 3.245040000000012

Number of H-Donors: 20

Number of H-Acceptors: 20

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi