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Substance Name: APP-018
RN: 452782-06-8
UNII: Z44M8U8Y9A
InChIKey: ZKKBZMXTFBAQLP-INNXVHPBSA-N

Molecular Formula

  • C114-H156-N24-O28

Molecular Weight

  • 2310.6264
 
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Names and Synonyms

Name of Substance

  • APP-018

Synonyms

  • APP-018
  • D-4F
  • D-Phenylalaninamide, N-acetyl-D-alpha-aspartyl-D-tryptophyl-D-phenylalanyl-D-lysyl-D-alanyl-D-phenylalanyl-D-tyrosyl-D-alpha-aspartyl-D-lysyl-D-valyl-D-alanyl-D-alpha-glutamyl-D-lysyl-D-phenylalanyl-D-lysyl-D-alpha-glutamyl-D-alanyl-
  • UNII-Z44M8U8Y9A

Registry Numbers

CAS Registry Number

  • 452782-06-8

FDA UNII

  • Z44M8U8Y9A

System Generated Number

  • 0452782068

Structure Descriptors

InChI

1S/C114H156N24O28/c1-64(2)96(114(166)123-67(5)98(150)125-83(48-50-93(143)144)105(157)126-80(41-23-27-53-117)104(156)133-86(57-71-33-15-9-16-34-71)107(159)128-79(40-22-26-52-116)103(155)130-82(47-49-92(141)142)102(154)122-65(3)99(151)131-84(97(119)149)55-69-29-11-7-12-30-69)138-106(158)81(42-24-28-54-118)129-113(165)91(62-95(147)148)137-110(162)88(59-73-43-45-75(140)46-44-73)134-109(161)85(56-70-31-13-8-14-32-70)132-100(152)66(4)121-101(153)78(39-21-25-51-115)127-108(160)87(58-72-35-17-10-18-36-72)135-111(163)89(60-74-63-120-77-38-20-19-37-76(74)77)136-112(164)90(61-94(145)146)124-68(6)139/h7-20,29-38,43-46,63-67,78-91,96,120,140H,21-28,39-42,47-62,115-118H2,1-6H3,(H2,119,149)(H,121,153)(H,122,154)(H,123,166)(H,124,139)(H,125,150)(H,126,157)(H,127,160)(H,128,159)(H,129,165)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,161)(H,135,163)(H,136,164)(H,137,162)(H,138,158)(H,141,142)(H,143,144)(H,145,146)(H,147,148)/t65-,66-,67-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,96-/m1/s1

InChIKey

ZKKBZMXTFBAQLP-INNXVHPBSA-N

Smiles

C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc2ccc(cc2)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](Cc4ccccc4)C(=O)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@@H](CC(=O)O)NC(=O)C