Chemical Compound

(2S)-2-{[(19S,20S)-20-(2-{[(1S)-1,2-dicarboxyethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17-decaen-4-yl]formamido}butanedioic acid

(2S)-2-{[(19S,20S)-20-(2-{[(1S)-1,2-dicarboxyethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17-decaen-4-yl]formamido}butanedioic acid 结构式
Primary record

(2S)-2-{[(19S,20S)-20-(2-{[(1S)-1,2-dicarboxyethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17-decaen-4-yl]formamido}butanedioic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
132557849
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)N[C@@H](CC(=O)O)C(=O)O)CC(=O)OC)CCC(=O)N[C@@H](CC(=O)O)C(=O)O)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)N[C@@H](CC(=O)O)C(=O)O)[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H]3C

名称与同义词

  • J3.500.734B
  • (2S)-2-{[(19S,20S)-20-(2-{[(1S)-1,2-dicarboxyethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17-decaen-4-yl]formamido}butanedioic acid
  • (2S,3S)-18-[[(S)-1,2-Dicarboxyethyl]carbamoyl]-2-[3-[(S)-1,2-dicarboxyethylamino]-3-oxopropyl]-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-21H,23H-porphyrin-20-acetic acid 20-methyl ester