Chemical Compound

N-{(1S,4S,7S,8S,11R,14S,17R,20S)-7-[(N~2~-{(3R,9S,12S,15S,21S,22S)-21-[(N~2~-{(6R,9S,10S,15aS)-10-[(3R,6S,12S,15S)-12-[(2S)-Butan-2-yl]-15-[(2Z)-2-(L-isoleucylamino)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamido]-9-methyl-1,4,11-trioxododecahydro-1H,9H-pyrrolo[2,1-i][1,4,7,10]thiatriazacyclotridecine-6-carbonyl}-L-lysyl)amino]-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosane-3-carbonyl}-L-asparaginyl-L-methionyl-L-lysyl)amino]-14-[(1H-imidazol-5-yl)methyl]-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosane-17-carbonyl}-L-seryl-L-isoleucyl-L-histidyl-N-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxoprop-1-en-2-yl)-L-valinamide

CAS Registry Number 1414-45-5
返回搜索 申请报价
N-{(1S,4S,7S,8S,11R,14S,17R,20S)-7-[(N~2~-{(3R,9S,12S,15S,21S,22S)-21-[(N~2~-{(6R,9S,10S,15aS)-10-[(3R,6S,12S,15S)-12-[(2S)-Butan-2-yl]-15-[(2Z)-2-(L-isoleucylamino)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamido]-9-methyl-1,4,11-trioxododecahydro-1H,9H-pyrrolo[2,1-i][1,4,7,10]thiatriazacyclotridecine-6-carbonyl}-L-lysyl)amino]-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosane-3-carbonyl}-L-asparaginyl-L-methionyl-L-lysyl)amino]-14-[(1H-imidazol-5-yl)methyl]-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosane-17-carbonyl}-L-seryl-L-isoleucyl-L-histidyl-N-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxoprop-1-en-2-yl)-L-valinamide 结构式
Primary record

N-{(1S,4S,7S,8S,11R,14S,17R,20S)-7-[(N~2~-{(3R,9S,12S,15S,21S,22S)-21-[(N~2~-{(6R,9S,10S,15aS)-10-[(3R,6S,12S,15S)-12-[(2S)-Butan-2-yl]-15-[(2Z)-2-(L-isoleucylamino)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamido]-9-methyl-1,4,11-trioxododecahydro-1H,9H-pyrrolo[2,1-i][1,4,7,10]thiatriazacyclotridecine-6-carbonyl}-L-lysyl)amino]-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosane-3-carbonyl}-L-asparaginyl-L-methionyl-L-lysyl)amino]-14-[(1H-imidazol-5-yl)methyl]-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosane-17-carbonyl}-L-seryl-L-isoleucyl-L-histidyl-N-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxoprop-1-en-2-yl)-L-valinamide

库存
6,604 克
纯度
98.7 %
CAS
1414-45-5

化合物标识与属性

CAS
1414-45-5
PubChem CID
155489900
SMILES
CC[C@H](C)[C@H]1C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@@H](CSC[C@H](C(=O)N1)NC(=O)/C(=C/C)/NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@@H]2[C@@H](SC[C@H](NC(=O)CNC(=O)[C@@H]3CCCN3C2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]4[C@@H](SC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]5[C@@H](SC[C@H]6C(=O)N[C@H](C(=O)N[C@@H](CS[C@H]([C@H](C(=O)N6)NC(=O)[C@@H](NC5=O)C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C(=O)N[C@@H](CCCCN)C(=O)O)CC8=CN=CN8)C)C)C)CC(C)C
Canonical SMILES
C=C(NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CS[C@@H](C)[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CS[C@@H](C)[C@@H](NC(=O)[C@@H]5CSC[C@@H](NC(=O)/C(=C/C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=C)C(=O)N[C@@H](CC(C)C)C(=O)N5)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N3)[C@H](C)SC[C@H](NC2=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

名称与同义词

  • Nisaplin
  • NISIN
  • Nisitrol
  • Novasin
  • Ambicin N
  • Nisin A
  • Microgard MG 300
  • UNII-EN8XKG133D
  • EN8XKG133D
  • orb1679732
  • orb3025271
  • CHEMBL5308378
  • SCHEMBL29988567
  • DTXSID20893678
  • EINECS 215-807-5
  • NSC 112903
  • NSC-112903
  • G13894
  • 1414-45-5
  • N-{(1S,4S,7S,8S,11R,14S,17R,20S)-7-[(N~2~-{(3R,9S,12S,15S,21S,22S)-21-[(N~2~-{(6R,9S,10S,15aS)-10-[(3R,6S,12S,15S)-12-[(2S)-Butan-2-yl]-15-[(2Z)-2-(L-isoleucylamino)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamido]-9-methyl-1,4,11-trioxododecahydro-1H,9H-pyrrolo[2,1-i][1,4,7,10]thiatriazacyclotridecine-6-carbonyl}-L-lysyl)amino]-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosane-3-carbonyl}-L-asparaginyl-L-methionyl-L-lysyl)amino]-14-[(1H-imidazol-5-yl)methyl]-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosane-17-carbonyl}-L-seryl-L-isoleucyl-L-histidyl-N-(3-{[(1S)-5-amino-1-carboxypentyl]amino}-3-oxoprop-1-en-2-yl)-L-valinamide