NR58-3.14.3

NR58.3-14-3
Names
IUPAC name
(3S,6S,9S,12S,15R,18R,21R,26S,29R)-21-amino-3,9-bis(4-aminobutyl)-6,18-bis(3-amino-3-oxopropyl)-15-[(2S)-butan-2-yl]-32-(carboxymethyl)-12-(1H-indol-3-ylmethyl)-29-(2-methylpropyl)-2,5,8,11,14,17,20,28,31,34-decaoxo-23,24-dithia-1,4,7,10,13,16,19,27,30,33-decazabicyclo[33.3.0]octatriacontane-26-carboxylic acid
Identifiers
3D model (JSmol)
  • InChI=1S/C60H94N16O16S2/c1-5-32(4)49-58(89)73-42(26-33-28-66-36-14-7-6-13-34(33)36)55(86)68-37(15-8-10-22-61)51(82)69-38(18-20-46(64)77)52(83)70-40(16-9-11-23-62)59(90)76-24-12-17-45(76)57(88)72-43(27-48(79)80)56(87)71-41(25-31(2)3)54(85)74-44(60(91)92)30-94-93-29-35(63)50(81)67-39(53(84)75-49)19-21-47(65)78/h6-7,13-14,28,31-32,35,37-45,49,66H,5,8-12,15-27,29-30,61-63H2,1-4H3,(H2,64,77)(H2,65,78)(H,67,81)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,72,88)(H,73,89)(H,74,85)(H,75,84)(H,79,80)(H,91,92)/t32-,35-,37-,38-,39+,40-,41+,42-,43?,44+,45?,49+/m0/s1
    Key: FBAWIVCCEBIKFB-QOQTVHDZSA-N
  • CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCCC2C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N[C@@H](C(=O)N1)CCC(=O)N)N)C(=O)O)CC(C)C)CC(=O)O)CCCCN)CCC(=O)N)CCCCN)CC3=CNC4=CC=CC=C43
Properties
C60H94N16O16S2
Molar mass 1359.63 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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NR58.3-14-3 is a cyclic peptide consisting of 11 D-amino acids. It is a broad-spectrum chemokine inhibitor and anti-inflammatory agent.