Chemical Compound

methyl 3-[(4S,5S)-10-ethenyl-20-[(4-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}butyl)carbamoyl]-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaen-4-yl]propanoate

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methyl 3-[(4S,5S)-10-ethenyl-20-[(4-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}butyl)carbamoyl]-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaen-4-yl]propanoate 结构式
Primary record

methyl 3-[(4S,5S)-10-ethenyl-20-[(4-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}butyl)carbamoyl]-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaen-4-yl]propanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101613190
SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)NCCCCNC(=O)C6=C(C7=NC6=C(C8=NC(=CC9=C(C(=C(N9)C=C1C(=C(C(=C7)N1)CC)C)C=C)C)[C@H]([C@@H]8CCC(=O)OC)C)CC(=O)OC)C)CC(=O)OC)CCC(=O)OC)C)C)C=C)C
Canonical SMILES
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)NCCCCNC(=O)C1=C(C)c2cc4[nH]c(cc5[nH]c(cc6nc(c(CC(=O)OC)c1n2)[C@@H](CCC(=O)OC)[C@@H]6C)c(C)c5C=C)c(C)c4CC)[C@@H](CCC(=O)OC)[C@@H]3C

名称与同义词

  • J435.276I
  • 13,13 -[Butane-1,4-diylbis(iminocarbonyl)]bis[2,7,12,18alpha-tetramethyl-8-ethyl-17,18-dihydro-15-methoxycarbonylmethyl-3-vinyl-21H,23H-porphyrin-17beta-propionic acid methyl] ester
  • methyl 3-[(4S,5S)-10-ethenyl-20-[(4-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}butyl)carbamoyl]-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaen-4-yl]propanoate