Chemical Compound

2-[(6S,12S,15R,19S,26S)-26-(2-amino-2-oxoethyl)-19-benzyl-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl]-N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide

CAS Registry Number 1374772-61-8
返回搜索 申请报价
2-[(6S,12S,15R,19S,26S)-26-(2-amino-2-oxoethyl)-19-benzyl-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl]-N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide 结构式
Primary record

2-[(6S,12S,15R,19S,26S)-26-(2-amino-2-oxoethyl)-19-benzyl-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl]-N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide

库存
3,333 克
纯度
99.2 %
CAS
1374772-61-8

化合物标识与属性

CAS
1374772-61-8
PubChem CID
71816533
SMILES
CC1=C2C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=O)N5CCC[C@H]5C6=NC(=CS6)C7=NC(=CS7)C8=C(C=CC(=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(=N2)O1)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC(=O)N
Canonical SMILES
C=C(NC(=O)C(=C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSC(=N2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](CC(N)=O)NC(=O)c2nc-3oc2C)n1)C(N)=O

名称与同义词

  • Kocurin
  • Baringolin
  • RefChem:151352
  • orb1692390
  • SCHEMBL29562992
  • CHEBI:226717
  • AKOS040756174
  • HY-W748000
  • 1374772-61-8
  • J3.210.406A
  • N-[[(4R)-2-[(1S)-1-[[[2-[(1S)-1,3-diamino-3-oxopropyl]-4-thiazolyl]carbonyl]amino]-2-phenylethyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-tyrosyl-2-[5-(4-carboxy-5-methyl-2-oxazolyl)-6-[2'-(2S)-2-pyrrolidinyl[2,4'-bithiazol]-4-yl]-2-pyridinyl]-4-thiazolecarbonyl-2,3-didehydroalanyl-L-alanyl-L-prolyl-2,3-didehydroalanyl-2,3-didehydro-alaninamide (2-->1)-lactam
  • 2-[(6S,12S,15R,19S,26S)-26-(2-amino-2-oxoethyl)-19-benzyl-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl]-N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
  • 2-((6S,12S,15R,19S,26S)-26-(2-amino-2-oxoethyl)-19-benzyl-12-((4-hydroxyphenyl)methyl)-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo(37.2.1.12,5.115,18.122,25.129,32.06,10.033,38)hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl)-N-(3-(((2S)-1-((2R)-2-((3-((3-amino-3-oxoprop-1-en-2-yl)amino)-3-oxoprop-1-en-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-oxoprop-1-en-2-yl)-1,3-thiazole-4-carboxamide
  • 2-((6S,12S,15R,19S,26S)-26-(2-amino-2-oxoethyl)-19-benzyl-12-((4-hydroxyphenyl)methyl)-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo(37.2.1.12,5.115,18.122,25.129,32.06,10.033,38)hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33(38),34,36,39-dodecaen-36-yl)-N-(3-(((2S)-1-((2S)-2-((3-((3-amino-3-oxoprop-1-en-2-yl)amino)-3-oxoprop-1-en-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-oxoprop-1-en-2-yl)-1,3-thiazole-4-carboxamide
  • 2-{[(2S)-1-[(2S)-2-[2-({2-[(6S,12S,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-12-[(4-hydroxyphenyl)methyl]-30-methyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]propanoyl]pyrrolidin-2-yl]formamido}-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide
  • N-[2-[5,6-[5-Methyloxazole-2,4-diylcarbonylimino[(S)-3-oxo-3-aminopropane-1,1-diyl](thiazole-2,4-diyl)carbonylimino[(S)-2-phenylethane-1,1-diyl][(4R)-2-thiazoline-2,4alpha-diyl]carbonylimino[(S)-1-oxo-3-(4-hydroxyphenyl)propane-2,1-diyl][(2S)-pyrrolidine-1,2alpha-diyl](4,2 -bithiazole-2,4 -diyl)]pyridine-2-yl]thiazole-4-ylcarbonyl]-deltaAla-L-Ala-L-Pro-deltaAla-deltaAla-NH2