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Substance Name: AC-178335
RN: 212966-15-9
UNII: VL5KG0JL3S
InChIKey: ADIUJENJSJKNSC-FKJNZLKYSA-N

Molecular Formula

  • C49-H63-N13-O7

Molecular Weight

  • 946.1207
 
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Names and Synonyms

Name of Substance

  • AC-178335

Synonyms

  • AC-178335
  • D-Phenylalaninamide, N-acetyl-D-histidyl-D-phenylalanyl-D-isoleucyl-D-arginyl-D-tryptophyl-
  • UNII-VL5KG0JL3S

Registry Numbers

CAS Registry Number

  • 212966-15-9

FDA UNII

  • VL5KG0JL3S

System Generated Number

  • 0212966159

Structure Descriptors

InChI

1S/C49H63N13O7/c1-4-29(2)42(62-47(68)39(23-32-16-9-6-10-17-32)60-46(67)41(57-30(3)63)25-34-27-53-28-56-34)48(69)58-37(20-13-21-54-49(51)52)44(65)61-40(24-33-26-55-36-19-12-11-18-35(33)36)45(66)59-38(43(50)64)22-31-14-7-5-8-15-31/h5-12,14-19,26-29,37-42,55H,4,13,20-25H2,1-3H3,(H2,50,64)(H,53,56)(H,57,63)(H,58,69)(H,59,66)(H,60,67)(H,61,65)(H,62,68)(H4,51,52,54)/t29-,37-,38-,39-,40-,41-,42-/m1/s1

InChIKey

ADIUJENJSJKNSC-FKJNZLKYSA-N

Smiles

CC[C@@H](C)[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](Cc3ccccc3)C(=O)N)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](Cc5c[nH]cn5)NC(=O)C