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Pteratide I

AlkaPlorer ID: AK061666

Synonym: None

IUPAC Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-19-benzyl-3,4,7,10,14,17,22,23,27-nonamethyl-6-(2-methylpropyl)-2,5,8,12,15,18,21,24-octaoxo-13,16-di(propan-2-yl)-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide

Structure

SMILES: CC(C)C[C@H]1C(=O)N(C)[C@@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)N(C)[C@@H](C)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](N=C(O)C2=CC=CC=C2)C(=O)N1C

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InChI: InChI=1S/C53H78N8O10/c1-30(2)26-40-49(66)57(12)35(9)47(64)61-29-33(7)27-41(61)50(67)56(11)34(8)45(62)54-39(28-37-22-18-16-19-23-37)48(65)59(14)43(31(3)4)52(69)60(15)44(32(5)6)53(70)71-36(10)42(51(68)58(40)13)55-46(63)38-24-20-17-21-25-38/h16-25,30-36,39-44H,26-29H2,1-15H3,(H,54,62)(H,55,63)/t33-,34+,35+,36-,39+,40+,41+,42+,43+,44+/m1/s1

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InChIKey: FEZAMWVWAZSVSX-ZBXLCKSXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pterula sp. Pterula Pterulaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 987.2529999999998

TPSA？: 213.34

MolLogP？: 4.642800000000014

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information