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Substance Name: Elatipepimut-S [USAN]
RN: 1629213-88-2
UNII: 38184303XR
InChIKey: CTSKMDHGVDBLCZ-ZKXJBQDUSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C106-H153-N27-O28-S4

Molecular Weight

  • 2381.7997
 
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Names and Synonyms

Name of Substance

  • Elatipepimut-S [USAN]
  • Nelatimotide

Synonyms

  • DSR-124888
  • Elatipepimut-S
  • L-Cysteinyl(human wilms tumor protein (wt33)-(126-134)peptide) (1-10) and (236-L-tyrosine(m>y))human wilms tumor protein (wt33)-(235-243)-peptide (1'-9'), (1-1')- disulfide
  • Nelatimotide
  • Nelatimotide [INN]
  • UNII-38184303XR

Registry Numbers

CAS Registry Number

  • 1629213-88-2

FDA UNII

  • 38184303XR

System Generated Number

  • 1629213882

Structure Descriptors

InChI

1S/C106H153N27O28S4/c1-53(2)41-78(104(158)159)129-94(148)71(43-58-24-28-61(135)29-25-58)125-99(153)80-22-15-37-132(80)102(156)55(5)117-93(147)74(47-83(110)138)126-100(154)81-23-16-38-133(81)103(157)77(45-57-17-10-9-11-18-57)128-92(146)70(35-40-163-8)120-89(143)67(21-14-36-115-106(113)114)118-87(141)64(107)51-164-165-52-65(108)88(142)122-72(44-59-26-30-62(136)31-27-59)98(152)131-86(56(6)134)101(155)127-73(46-60-50-116-66-20-13-12-19-63(60)66)95(149)124-75(48-84(111)139)96(150)119-68(32-33-82(109)137)90(144)121-69(34-39-162-7)91(145)123-76(49-85(112)140)97(151)130-79(105(160)161)42-54(3)4/h9-13,17-20,24-31,50,53-56,64-65,67-81,86,116,134-136H,14-16,21-23,32-49,51-52,107-108H2,1-8H3,(H2,109,137)(H2,110,138)(H2,111,139)(H2,112,140)(H,117,147)(H,118,141)(H,119,150)(H,120,143)(H,121,144)(H,122,142)(H,123,145)(H,124,149)(H,125,153)(H,126,154)(H,127,155)(H,128,146)(H,129,148)(H,130,151)(H,131,152)(H,158,159)(H,160,161)(H4,113,114,115)/t55-,56+,64-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-/m0/s1

InChIKey

CTSKMDHGVDBLCZ-ZKXJBQDUSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4ccccc4)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N6CCC[C@H]6C(=O)N[C@@H](Cc7ccc(O)cc7)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O