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Substance Name: Acyline
RN: 170157-13-8
UNII: S3439D3B35
InChIKey: ZWNUQDJANZGVFO-YHSALVGYSA-N

Classification Codes

  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C80-H102-Cl-N15-O14

Molecular Weight

  • 1533.2298
 
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Names and Synonyms

Name of Substance

  • Acyline

Synonym

  • UNII-S3439D3B35

Systematic Name

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-(acetylamino)-L-phenylalanyl-4-(acetylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 170157-13-8

FDA UNII

  • S3439D3B35

System Generated Number

  • 0170157138

Structure Descriptors

InChI

1S/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1

InChIKey

ZWNUQDJANZGVFO-YHSALVGYSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(NC(=O)C)cc1)NC(=O)[C@H](Cc2ccc(NC(=O)C)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N7CCC[C@H]7C(=O)N[C@H](C)C(=O)N