Chemical Compound

[2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 5-[[6-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-5-[[2-[[3-hydroxy-2-[[2-[[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxo-hexyl]amino]-5-oxo-pentanoate

CAS Registry Number 139570-93-7
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[2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 5-[[6-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-5-[[2-[[3-hydroxy-2-[[2-[[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxo-hexyl]amino]-5-oxo-pentanoate 结构式
Primary record

[2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 5-[[6-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-5-[[2-[[3-hydroxy-2-[[2-[[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxo-hexyl]amino]-5-oxo-pentanoate

库存
3,764 克
纯度
98.2 %
CAS
139570-93-7

化合物标识与属性

CAS
139570-93-7
PubChem CID
176448700
SMILES
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCCC(=NCCCCC(C(=NC(CC(C)C)C(=NC(CCCNC(=N)N)C(=O)N6CCCC6C(=NCC(=N)O)O)O)O)N=C(C(CC7=CC=C(C=C7)O)N=C(C(CO)N=C(C(CC8=CNC9=CC=CC=C98)N=C(C(CC1=CN=CN1)N=C(C1CCC(=N1)O)O)O)O)O)O)O)O)N)O
Canonical SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCCC(O)=NCCCCC(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(CO)N=C(O)C(Cc1c[nH]c2ccccc12)N=C(O)C(Cc1cnc[nH]1)N=C(O)C1CCC(O)=N1)C(O)=NC(CC(C)C)C(O)=NC(CCCNC(=N)N)C(=O)N1CCCC1C(O)=NCC(=N)O)CC3OC1CC(N)C(O)C(C)O1

名称与同义词

  • C91H117N19O26
  • [2-[4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 5-[[6-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-5-[[2-[[3-hydroxy-2-[[2-[[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxo-hexyl]amino]-5-oxo-pentanoate
  • 139570-93-7