102686-43-1 ((L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (5®21)-disulfide)

CAS号:
102686-43-1
英文名称:
L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (5®21)-disulfide
分子式:
C118H187N43O36S3
分子量:
2880.20889878273

L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (5®21)-disulfide(102686-43-1)名称与标识符

名称

英文别名:
ARG-ARG-SER-SER-CYS-PHE-GLY-GLY-ARG-MET-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR (DISULFIDE BRIDGE CYS5-CYS21 );Atrial Natriuretic Factor (3-28) (human);Atrial Natriuretic Factor (3-28) (human, bovine, porcine);Atrial Natriuretic Peptide: 3-28, human;H-ARG-ARG-SER-SER-CYS-PHE-GLY-GLY-ARG-MET-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR-OH;L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginy...;L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-ar;L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-;ANF (3-28) (HUMAN,CANINE);ARG-ARG-SER-SER-CYS-PHE-GLY-GLY-ARG-MET-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR;Atrial Natriuretic Factor (3-28) (huMan,bovine,porcine) hANF (3-28);ATRIAL NATRIURETIC PEPTIDE (3-28),HUMAN;HANF (3-28);ARG-ARG-SER-SER-CYS-PHE-GLY-GLY-ARG-MET-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-ARG-TYR: RRSSCFGGRMDRIGAQSGLGCNSFRYDISULFIDE BRIDGE CYS7-CYS23;Atrial Natriuretic Factor (3-28) (huMan, bovine, porcine) hANF (3-28);102686-43-1;Atrial natriuretic factor(3-28)(human,bovine,porcine);PD077177;ANF (3-28) (HUMAN, CANINE);ATRIAL NATRIURETIC PEPTIDE (3-28), HUMAN;

标识符

InChIKey:
XMTSAHHZXZQHBE-VYYHEFJRSA-N
Inchi:
1S/C118H187N43O36S3/c1-7-59(4)92-112(195)141-49-87(170)142-60(5)93(176)146-70(32-33-84(120)167)101(184)156-78(52-162)97(180)140-50-89(172)144-72(41-58(2)3)95(178)139-51-90(173)145-82(110(193)153-75(45-85(121)168)105(188)158-79(53-163)107(190)152-74(43-62-21-12-9-13-22-62)104(187)148-68(26-17-38-135-117(128)129)99(182)155-77(113(196)197)44-63-28-30-64(166)31-29-63)56-199-200-57-83(160-109(192)81(55-165)159-108(191)80(54-164)157-100(183)67(25-16-37-134-116(126)127)147-94(177)65(119)23-14-35-132-114(122)123)111(194)151-73(42-61-19-10-8-11-20-61)96(179)138-47-86(169)137-48-88(171)143-66(24-15-36-133-115(124)125)98(181)150-71(34-40-198-6)102(185)154-76(46-91(174)175)106(189)149-69(103(186)161-92)27-18-39-136-118(130)131/h8-13,19-22,28-31,58-60,65-83,92,162-166H,7,14-18,23-27,32-57,119H2,1-6H3,(H2,120,167)(H2,121,168)(H,137,169)(H,138,179)(H,139,178)(H,140,180)(H,141,195)(H,142,170)(H,143,171)(H,144,172)(H,145,173)(H,146,176)(H,147,177)(H,148,187)(H,149,189)(H,150,181)(H,151,194)(H,152,190)(H,153,193)(H,154,185)(H,155,182)(H,156,184)(H,157,183)(H,158,188)(H,159,191)(H,160,192)(H,161,186)(H,174,175)(H,196,197)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)/t59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,92-/m0/s1
SMILES:
S(C)CC[C@H]1C(N[C@@H](CC(=O)O)C(N[C@H](C(N[C@H](C(NCC(N[C@@H](C)C(N[C@H](C(N[C@@H](CO)C(NCC(N[C@H](C(NCC(N[C@@H](CSSC[C@@H](C(N[C@H](C(NCC(NCC(N[C@H](C(N1)=O)CCCNC(=N)N)=O)=O)=O)CC1C=CC=CC=1)=O)NC([C@H](CO)NC([C@H](CO)NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(=N)N)N)=O)=O)=O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@@H](CC1C=CC=CC=1)C(N[C@H](C(N[C@H](C(=O)O)CC1C=CC(=CC=1)O)=O)CCCNC(=N)N)=O)=O)=O)=O)=O)=O)CC(C)C)=O)=O)=O)CCC(N)=O)=O)=O)=O)[C@@H](C)CC)=O)CCCNC(=N)N)=O)=O

L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (5®21)-disulfide(102686-43-1)物化性质

实验特性

  • LogP : -1.89520
  • PSA : 1400.85000

计算特性

  • 精确分子量 : 2878.33000
  • 氢键供体数量 : 50
  • 氢键受体数量 : 45
  • 可旋转化学键数量 : 68
  • 同位素质量 : 2878.3286030g/mol
  • 重原子数量 : 200
  • 复杂度 : 6430
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 22
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -14.7
  • 拓扑分子极性表面积 : 1400Ų

L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (5®21)-disulfide(102686-43-1)安全信息

L-Tyrosine,L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (5®21)-disulfide(102686-43-1)推荐厂家 更多厂家(8)