Chemical Compound

3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,75S,78S,81S,84S,87S,90R,93S)-54,60-bis(4-aminobutyl)-3,33,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-39,57-bis(carbamoylmethyl)-15,66,84-tris(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-78,81-dimethyl-75-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-triacontaoxo-9,51-bis(propan-2-yl)-12,24,48,63,69,90-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaazatricyclo[91.3.0.027,31]hexanonacontan-18-yl]propanoic acid

CAS Registry Number 5854-98-8
返回搜索 申请报价
3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,75S,78S,81S,84S,87S,90R,93S)-54,60-bis(4-aminobutyl)-3,33,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-39,57-bis(carbamoylmethyl)-15,66,84-tris(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-78,81-dimethyl-75-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-triacontaoxo-9,51-bis(propan-2-yl)-12,24,48,63,69,90-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaazatricyclo[91.3.0.027,31]hexanonacontan-18-yl]propanoic acid 结构式
Primary record

3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,75S,78S,81S,84S,87S,90R,93S)-54,60-bis(4-aminobutyl)-3,33,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-39,57-bis(carbamoylmethyl)-15,66,84-tris(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-78,81-dimethyl-75-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-triacontaoxo-9,51-bis(propan-2-yl)-12,24,48,63,69,90-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaazatricyclo[91.3.0.027,31]hexanonacontan-18-yl]propanoic acid

库存
2,883 克
纯度
99.2 %
CAS
5854-98-8

化合物标识与属性

CAS
5854-98-8
PubChem CID
16130183
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CS)[C@@H](C)CC)CC4=CNC5=CC=CC=C54)C(C)C)CS)CO)CCC(=O)O)CS)[C@@H](C)CC)CC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS)CC(C)C)C)C)CO
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC1=O

名称与同义词

  • Circulin A
  • Circulin A[Chassalia -parvifolia]
  • SCVWIPCISAALGCSCKNKVCYRNGIPCGE
  • J1.054.154I
  • 3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,75S,78S,81S,84S,87S,90R,93S)-54,60-bis(4-aminobutyl)-3,33,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-39,57-bis(carbamoylmethyl)-15,66,84-tris(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-78,81-dimethyl-75-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-triacontaoxo-9,51-bis(propan-2-yl)-12,24,48,63,69,90-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaazatricyclo[91.3.0.027,31]hexanonacontan-18-yl]propanoic acid
  • 3-[bis(4-aminobutyl)-bis(2-amino-2-oxo-ethyl)-(3-guanidinopropyl)-tris(hydroxymethyl)-[(4-hydroxyphenyl)methyl]-(1H-indol-3-ylmethyl)-isobutyl-diisopropyl-dimethyl-tris[(1S)-1-methylpropyl]-triacontaoxo-hexakis(sulfanylmethyl)[?]yl]propanoic acid
  • 5854-98-8
  • Cyclo(L-Val-L-Cys-L-Tyr-L-Arg-L-Asn-Gly-L-Ile-L-Pro-L-Cys-Gly-L-Glu-L-Ser-L-Cys-L-Val-L-Trp-L-Ile-L-Pro-L-Cys-L-Ile-L-Ser-L-Ala-L-Ala-L-Leu-Gly-L-Cys-L-Ser-L-Cys-L-Lys-L-Asn-L-Lys-)