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Substance Name: Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-
RN: 96717-73-6
InChIKey: AFBIDHYBVNNJGJ-ASUPZPJHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N3-O3

Molecular Weight

  • 309.4073
 
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Names and Synonyms

Synonyms

  • BRN 5599738
  • Butanoic acid, L-isoleucyl-gamma-(4-amino-2,5-cyclohexadien-1-yl)-L-alpha-amino-
  • L-2-Amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucylbutanoic acid

Systematic Name

  • Butanoic acid, L-2-amino-4-(4-amino-2,5-cyclohexadien-1-yl)-L-isoleucyl-

Registry Numbers

CAS Registry Number

  • 96717-73-6

System Generated Number

  • 0096717736

Structure Descriptors

InChI

1S/C16H27N3O3/c1-3-10(2)14(18)15(20)19-13(16(21)22)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,10-14H,3,6,9,17-18H2,1-2H3,(H,19,20)(H,21,22)/t10-,11?,12?,13-,14-/m0/s1

InChIKey

AFBIDHYBVNNJGJ-ASUPZPJHSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC1C=CC(C=C1)N)C(=O)O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 320mg/kg (320mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 312, 1985.