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Substance Name: Anaritide acetate [USAN]
RN: 104595-79-1
UNII: EGV6V52K6N
InChIKey: ZXFWJPKXEMFBOG-LWVMDMHWSA-N

Classification Codes

  • Antihypertensive
  • Diuretic

Molecular Formula

  • C112-H175-N39-O35-S3.x-(C2-H4-O2)

Molecular Weight

  • 2784.1021
 
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Names and Synonyms

Name of Substance

  • Anaritide acetate [USAN]

Synonyms

  • Anaritide acetate
  • Atriopeptin-21 (rat), N-L-arginyl-8-L-methionine-21a-L-phenylalanine-21b-L-arginine-21c-L-tyrosine-, acetate (salt)
  • L-Arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine cyclic (4-20)-disulfide, acetate (salt)
  • UNII-EGV6V52K6N
  • WY-47,663
  • WY-47,663 acetate

Registry Numbers

CAS Registry Number

  • 104595-79-1

FDA UNII

  • EGV6V52K6N

System Generated Number

  • 0104595791

Molecular Formulas

Molecular Formula

  • C112-H175-N39-O35-S3.x-(C2-H4-O2)

Molecular Formula Fragments

  • C112-H175-N39-O35-S3
  • C2-H4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C112H175N39O35S3.C2H4O2/c1-7-56(4)88-107(184)132-46-83(160)133-57(5)89(166)137-66(30-31-80(114)157)96(173)147-74(49-152)93(170)131-47-85(162)135-68(38-55(2)3)91(168)130-48-86(163)136-78(105(182)143-71(42-81(115)158)100(177)148-76(51-154)102(179)142-70(40-59-20-12-9-13-21-59)99(176)138-64(24-16-35-126-111(120)121)95(172)145-73(108(185)186)41-60-26-28-61(156)29-27-60)53-188-189-54-79(150-104(181)77(52-155)149-103(180)75(50-153)146-90(167)62(113)22-14-33-124-109(116)117)106(183)141-69(39-58-18-10-8-11-19-58)92(169)129-44-82(159)128-45-84(161)134-63(23-15-34-125-110(118)119)94(171)140-67(32-37-187-6)97(174)144-72(43-87(164)165)101(178)139-65(98(175)151-88)25-17-36-127-112(122)123;1-2(3)4/h8-13,18-21,26-29,55-57,62-79,88,152-156H,7,14-17,22-25,30-54,113H2,1-6H3,(H2,114,157)(H2,115,158)(H,128,159)(H,129,169)(H,130,168)(H,131,170)(H,132,184)(H,133,160)(H,134,161)(H,135,162)(H,136,163)(H,137,166)(H,138,176)(H,139,178)(H,140,171)(H,141,183)(H,142,179)(H,143,182)(H,144,174)(H,145,172)(H,146,167)(H,147,173)(H,148,177)(H,149,180)(H,150,181)(H,151,175)(H,164,165)(H,185,186)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)(H4,122,123,127);1H3,(H,3,4)/t56-,57-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88-;/m0./s1

InChIKey

ZXFWJPKXEMFBOG-LWVMDMHWSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N.CC(=O)O