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Substance Name: Lotilibcin [INN]
RN: 169148-84-9
UNII: XT4808181K
InChIKey: LEKBQPKGXGFBAN-MMXTXZKOSA-N

Note

  • Isolated from Staphylococcus aureus.

Molecular Weight

  • 1562.7779
 
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Names and Synonyms

Name of Substance

  • Lotilibcin [INN]

Synonyms

  • 3-((3S,6R,9R,12R,15S,18R,21S,24R,30S,33R,36S,40R)-33-((1R)-2-Amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-4,25-dimethyl-40-(4-methylpentyl)-21-(2-methylpropyl)-3-(propan-2-yl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazatetracontan-15-yl)propanoic acid
  • Lotilibcin
  • UNII-XT4808181K
  • WAP-8294A2

Registry Numbers

CAS Registry Number

  • 169148-84-9

FDA UNII

  • XT4808181K

System Generated Number

  • 0169148849

Structure Descriptors

InChI

1S/C73H111N17O21/c1-38(2)17-14-20-43-32-56(94)80-53(37-92)69(106)88-59(61(98)62(77)99)71(108)87-52(36-91)63(100)79-35-57(95)89(7)54(30-41-18-10-9-11-19-41)70(107)86-49(29-39(3)4)66(103)81-46(23-15-27-74)64(101)82-47(25-26-58(96)97)65(102)85-51(33-55(76)93)68(105)84-50(31-42-34-78-45-22-13-12-21-44(42)45)67(104)83-48(24-16-28-75)72(109)90(8)60(40(5)6)73(110)111-43/h9-13,18-19,21-22,34,38-40,43,46-54,59-61,78,91-92,98H,14-17,20,23-33,35-37,74-75H2,1-8H3,(H2,76,93)(H2,77,99)(H,79,100)(H,80,94)(H,81,103)(H,82,101)(H,83,104)(H,84,105)(H,85,102)(H,86,107)(H,87,108)(H,88,106)(H,96,97)/t43-,46-,47+,48-,49+,50-,51-,52+,53+,54-,59-,60+,61-/m1/s1

InChIKey

LEKBQPKGXGFBAN-MMXTXZKOSA-N

Smiles

CC(C)CCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)CCCN)Cc2c[nH]c3c2cccc3)CC(=O)N)CCC(=O)O)CCCN)CC(C)C)Cc4ccccc4)C)CO)[C@H](C(=O)N)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 51, Pg. 929, 1998.
mouse LD intravenous > 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 51, Pg. 929, 1998.
mouse LD oral > 200mg/kg (200mg/kg)   Journal of Antibiotics. Vol. 51, Pg. 929, 1998.