Chemical Compound

2-[[5-amino-2-[[2-[[24-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3,12-bis(3-guanidinopropyl)-6-[(4-hydroxyphenyl)methyl]-18-isobutyl-9-isopropyl-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid

CAS Registry Number 128315-56-0
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2-[[5-amino-2-[[2-[[24-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3,12-bis(3-guanidinopropyl)-6-[(4-hydroxyphenyl)methyl]-18-isobutyl-9-isopropyl-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid 结构式
Primary record

2-[[5-amino-2-[[2-[[24-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3,12-bis(3-guanidinopropyl)-6-[(4-hydroxyphenyl)methyl]-18-isobutyl-9-isopropyl-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid

库存
9,050 克
纯度
98.5 %
CAS
128315-56-0

化合物标识与属性

CAS
128315-56-0
PubChem CID
176447252
SMILES
CC(C)CC1C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=O)N2CCCC2C(=NC(CSSCC(C(=NC(C(=N1)O)CCSC)O)N=C(C(CCCNC(=N)N)N=C(C(CC(C)C)N=C(C(CCSC)N=C(C(CC(=O)O)N=C(C(CC3=CC=CC=C3)N=C(C(CC(=O)O)N)O)O)O)O)O)O)C(=NC(CC4=CNC5=CC=CC=C54)C(=NC(CCC(=N)O)C(=NC(C(C)C)C(=O)O)O)O)O)O)CCCNC(=N)N)O)CC6=CC=C(C=C6)O)O)C(C)C)O)CCCNC(=N)N)O)O
Canonical SMILES
CSCCC1N=C(O)C(N=C(O)C(CCCNC(=N)N)N=C(O)C(CC(C)C)N=C(O)C(CCSC)N=C(O)C(CC(=O)O)N=C(O)C(Cc2ccccc2)N=C(O)C(N)CC(=O)O)CSSCC(C(O)=NC(Cc2c[nH]c3ccccc23)C(O)=NC(CCC(=N)O)C(O)=NC(C(=O)O)C(C)C)N=C(O)C2CCCN2C(=O)C(CCCNC(=N)N)N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)C)N=C(O)C(CCCNC(=N)N)N=C(O)CN=C(O)C(CC(C)C)N=C1O

名称与同义词

  • C105H160N30O26S4
  • 128315-56-0
  • 2-[[5-amino-2-[[2-[[24-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3,12-bis(3-guanidinopropyl)-6-[(4-hydroxyphenyl)methyl]-18-isobutyl-9-isopropyl-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid