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Substance Name: Qcpppvapa
RN: 138111-67-8
InChIKey: SZRIOVPVLPDSEJ-YBGFAQEQSA-N

Molecular Formula

  • C79-H102-Cl-N21-O14

Molecular Weight

  • 1605.2608
 
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Names and Synonyms

Results Name

  • Qcpppvapa

Name of Substance

  • N-Acetyl-3-(3-quinolyl)alanyl-3-(4-chlorophenyl)alanyl-3-(3-pyridyl)alanyl-seryl-3-(4-pyrazinylcarbonylaminocyclohexyl)alanyl-N(epsilon)picolinoyllysyl-valyl-arginyl-prolyl-alaninamide

Synonyms

  • N-Ac-3-Qal-4ClPhe-3-pal-ser-pzacala-piclys-val-arg-pro-alanh2
  • Qcpppvapa

Systematic Name

  • D-Alaninamide, N-acetyl-3-(3-quinolinyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-eryl-3-(4-((pyrazinylcarbonyl)amino)cyclohexyl)-L-alanyl-N6-(2-pyridinylcarbonyl)-D-lysyl-L-valyl-L-arginyl-L-prolyl-, cis-

Registry Numbers

CAS Registry Number

  • 138111-67-8

System Generated Number

  • 0138111678

Structure Descriptors

InChI

1S/C79H102ClN21O14/c1-45(2)65(98-67(105)54(81)16-7-9-31-91-69(107)59-18-8-10-30-89-59)71(109)96-60(19-12-32-92-78(85)86)74(112)99-35-13-20-64(99)76(114)101(73(111)57(84)38-47-21-25-52(80)26-22-47)79(4,66(104)61(94-46(3)103)40-50-36-51-15-5-6-17-58(51)93-42-50)77(115)100(75(113)63(44-102)97-68(106)55(82)39-49-14-11-29-87-41-49)72(110)56(83)37-48-23-27-53(28-24-48)95-70(108)62-43-88-33-34-90-62/h5-6,8,10-11,14-15,17-18,21-22,25-26,29-30,33-34,36,41-43,45,48,53-57,60-61,63-65,102H,7,9,12-13,16,19-20,23-24,27-28,31-32,35,37-40,44,81-84H2,1-4H3,(H,91,107)(H,94,103)(H,95,108)(H,96,109)(H,97,106)(H,98,105)(H4,85,86,92)/t48-,53+,54-,55-,56+,57-,60+,61-,63+,64+,65+,79+/m1/s1

InChIKey

SZRIOVPVLPDSEJ-YBGFAQEQSA-N

Smiles

CC([C@H](NC(=O)[C@H](N)CCCCNC(=O)c1ncccc1)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N([C@](C(=O)N(C(=O)[C@@H](NC(=O)[C@H](N)Cc3cnccc3)CO)C(=O)[C@@H](N)C[C@H]4CC[C@H](CC4)NC(=O)c5nccnc5)(C(=O)[C@H](NC(=O)C)Cc6cnc7c(c6)cccc7)C)C(=O)[C@H](N)Cc8ccc(cc8)Cl)CCCNC(=N)N)C