Chemical Compound

6-amino-2-{2-[2-(2-{2-[2-({7-[6-amino-2-(2-{2-[(21-{6-amino-2-[(10-{15-[(2Z)-2-(2-amino-3-methylpentanamido)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-12-(sec-butyl)-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido}-9-methyl-1,4,11-trioxo-decahydro-2H-pyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)formamido]hexanamido}-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-hexaazacyclodocosan-3-yl)formamido]-3-carbamoylpropanamido}-4-(methylsulfanyl)butanamido)hexanamido]-14-(1H-imidazol-4-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl}formamido)-3-hydroxypropanamido]-3-methylpentanamido}-3-(1H-imidazol-4-yl)propanamido)-3-methylbutanamido]prop-2-enamido}hexanoic acid

CAS Registry Number 1414-45-5
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6-amino-2-{2-[2-(2-{2-[2-({7-[6-amino-2-(2-{2-[(21-{6-amino-2-[(10-{15-[(2Z)-2-(2-amino-3-methylpentanamido)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-12-(sec-butyl)-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido}-9-methyl-1,4,11-trioxo-decahydro-2H-pyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)formamido]hexanamido}-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-hexaazacyclodocosan-3-yl)formamido]-3-carbamoylpropanamido}-4-(methylsulfanyl)butanamido)hexanamido]-14-(1H-imidazol-4-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl}formamido)-3-hydroxypropanamido]-3-methylpentanamido}-3-(1H-imidazol-4-yl)propanamido)-3-methylbutanamido]prop-2-enamido}hexanoic acid 结构式
Primary record

6-amino-2-{2-[2-(2-{2-[2-({7-[6-amino-2-(2-{2-[(21-{6-amino-2-[(10-{15-[(2Z)-2-(2-amino-3-methylpentanamido)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-12-(sec-butyl)-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido}-9-methyl-1,4,11-trioxo-decahydro-2H-pyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)formamido]hexanamido}-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-hexaazacyclodocosan-3-yl)formamido]-3-carbamoylpropanamido}-4-(methylsulfanyl)butanamido)hexanamido]-14-(1H-imidazol-4-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl}formamido)-3-hydroxypropanamido]-3-methylpentanamido}-3-(1H-imidazol-4-yl)propanamido)-3-methylbutanamido]prop-2-enamido}hexanoic acid

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
16132997
SMILES
CCC(C)C1C(=O)NC(=C)C(=O)NC(C(=O)NC(CSCC(C(=O)N1)NC(=O)C(=CC)NC(=O)C(C(C)CC)N)C(=O)NC2C(SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)NC4C(SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC(=O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC7=CNC=N7)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)CC8=CNC=N8)C)C)C)CC(C)C
Canonical SMILES
C=C(NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CO)NC(=O)C1CSC(C)C2NC(=O)C(C)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(CC(N)=O)NC(=O)C3CSC(C)C(NC(=O)C(CCCCN)NC(=O)C4CSC(C)C(NC(=O)C5CSCC(NC(=O)C(=CC)NC(=O)C(N)C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N5)C(=O)N5CCCC5C(=O)NCC(=O)N4)C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)N3)C(C)SCC(NC2=O)C(=O)NC(Cc2c[nH]cn2)C(=O)N1)C(C)CC)C(C)C)C(=O)NC(CCCCN)C(=O)O

名称与同义词

  • NISIN
  • Nisin A
  • J37.078I
  • 1414-45-5
  • 6-amino-2-{2-[2-(2-{2-[2-({7-[6-amino-2-(2-{2-[(21-{6-amino-2-[(10-{15-[(2Z)-2-(2-amino-3-methylpentanamido)but-2-enamido]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-12-(sec-butyl)-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido}-9-methyl-1,4,11-trioxo-decahydro-2H-pyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)formamido]hexanamido}-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-hexaazacyclodocosan-3-yl)formamido]-3-carbamoylpropanamido}-4-(methylsulfanyl)butanamido)hexanamido]-14-(1H-imidazol-4-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl}formamido)-3-hydroxypropanamido]-3-methylpentanamido}-3-(1H-imidazol-4-yl)propanamido)-3-methylbutanamido]prop-2-enamido}hexanoic acid
  • 6-amino-2-{2-[2-(2-{2-[2-({7-[6-amino-2-(2-{2-[(21-{6-amino-2-[(10-{15-[2-(2-amino-3-methylpentanamido)but-2-enamido]-12-(butan-2-yl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido}-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)formamido]hexanamido}-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-hexaazacyclodocosan-3-yl)formamido]-3-carbamoylpropanamido}-4-(methylsulfanyl)butanamido)hexanamido]-14-[(1H-imidazol-4-yl)methyl]-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl}formamido)-3-hydroxypropanamido]-3-methylpentanamido}-3-(1H-imidazol-4-yl)propanamido)-3-methylbutanamido]prop-2-enamido}hexanoic acid
  • L-Ile-3-Methyl Dha-D-Cys(1)-L-Ile-deltaAla-L-Leu-L-Ala(1)-3-methyl-D-Ala(2)-L-Pro-Gly-L-Cys(2)-L-Lys-3-methyl-D-Ala(3)-Gly-L-Ala-L-Leu-L-Met-Gly-L-Cys(3)-L-Asn-L-Met-L-Lys-3-methyl-D-Ala(4)-L-Ala-3-methyl-D-Ala(5)-L-Cys(4)-L-His-L-Cys(5)-L-Ser-L-Ile-L-His-L-Val-deltaAla-L-Lys-OH