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Kahalalide P

AlkaPlorer ID: AK075128

Synonym: None

IUPAC Name: 2-[(3S,6S,9R,12S,15S,17R,21R,24S,27R,30R,34R,37S)-3-(4-aminobutyl)-6,27-dibenzyl-17-hydroxy-12,24-bis(hydroxymethyl)-34-(6-methylheptyl)-9-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,36-undecaoxo-21-propan-2-yl-35-oxa-1,4,7,10,13,19,22,25,28,31-decazatricyclo[35.3.0.015,19]tetracontan-30-yl]acetic acid

Structure

SMILES: CC(C)CCCCC[C@@H]1CC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O1

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InChI: InChI=1S/C66H99N11O17/c1-38(2)19-10-7-15-24-44-33-54(81)68-49(34-55(82)83)60(87)72-48(31-42-22-13-9-14-23-42)59(86)73-51(37-79)62(89)75-56(40(5)6)65(92)77-35-43(80)32-53(77)63(90)74-50(36-78)61(88)70-46(29-39(3)4)57(84)71-47(30-41-20-11-8-12-21-41)58(85)69-45(25-16-17-27-67)64(91)76-28-18-26-52(76)66(93)94-44/h8-9,11-14,20-23,38-40,43-53,56,78-80H,7,10,15-19,24-37,67H2,1-6H3,(H,68,81)(H,69,85)(H,70,88)(H,71,84)(H,72,87)(H,73,86)(H,74,90)(H,75,89)(H,82,83)/t43-,44-,45+,46-,47+,48-,49-,50+,51+,52+,53+,56-/m1/s1

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InChIKey: ANLFIKGGFIGXIO-TZTNEPLUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1318.5780000000004

TPSA？: 423.7299999999999

MolLogP？: -0.4846000000000112

Number of H-Donors: 13

Number of H-Acceptors: 17

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information