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Substance Name: Acetyl-tryptophyl-isoleucyl-alanyl-aminoisobutyryl-isoleucyl-valyl-aminoisobutyryl-leucyl-aminoisobutyryl-proline methyl ester
RN: 130517-75-8
InChIKey: VEUCTMCWBXPPPR-JQRRNLQSSA-N

Molecular Formula

  • C57-H91-N11-O12

Molecular Weight

  • 1122.4109
 
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Names and Synonyms

Name of Substance

  • Acetyl-tryptophyl-isoleucyl-alanyl-aminoisobutyryl-isoleucyl-valyl-aminoisobutyryl-leucyl-aminoisobutyryl-proline methyl ester

Synonyms

  • Ac-Trp-ile-ala-aib-ile-val-aib-leu-aib-pro-ome
  • AcWIA

Systematic Name

  • L-Proline, 1-(N-(N-(N-(N-(N-(N-(N-(N-(N-acetyl-L-tryptophyl)-L-isoleucyl)-L-alanyl)-2-methylalanyl)-L-isoleucyl)-L-valyl)-2-methylalanyl)-L-leucyl)-2-methylalanyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 130517-75-8

System Generated Number

  • 0130517758

Structure Descriptors

InChI

1S/C57H91N11O12/c1-18-32(7)43(63-46(71)40(60-35(10)69)28-36-29-58-38-24-21-20-23-37(36)38)48(73)59-34(9)45(70)65-56(13,14)53(78)64-44(33(8)19-2)49(74)62-42(31(5)6)50(75)67-55(11,12)52(77)61-39(27-30(3)4)47(72)66-57(15,16)54(79)68-26-22-25-41(68)51(76)80-17/h20-21,23-24,29-34,39-44,58H,18-19,22,25-28H2,1-17H3,(H,59,73)(H,60,69)(H,61,77)(H,62,74)(H,63,71)(H,64,78)(H,65,70)(H,66,72)(H,67,75)/t32-,33-,34-,39-,40-,41-,42-,43-,44-/m0/s1

InChIKey

VEUCTMCWBXPPPR-JQRRNLQSSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)C