Chemical Compound

2-[20-(2-{[2-(2-{2-[(4S)-4-amino-5-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)formamido]-5-oxopentanamido]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-4-(hydroxymethyl)-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-2-yl]acetic acid

2-[20-(2-{[2-(2-{2-[(4S)-4-amino-5-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)formamido]-5-oxopentanamido]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-4-(hydroxymethyl)-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-2-yl]acetic acid 结构式
Primary record

2-[20-(2-{[2-(2-{2-[(4S)-4-amino-5-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)formamido]-5-oxopentanamido]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-4-(hydroxymethyl)-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-2-yl]acetic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
137258477
SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)CO)CC(=O)O)CCC(=O)NCCOCCOCCNC(=O)CC[C@@H](C(=O)NC(=O)C6=CC=C(C=C6)NCC7=CN=C8C(=N7)C(=O)NC(=N8)N)N)C)C)C=C)C
Canonical SMILES
C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4CO)C(CCC(=O)NCCOCCOCCNC(=O)CC[C@H](N)C(=O)NC(=O)c1ccc(NCc2cnc4nc(N)[nH]c(=O)c4n2)cc1)C3C

名称与同义词

  • J3.621.409K
  • 2-[20-(2-{[2-(2-{2-[(4S)-4-amino-5-[(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}phenyl)formamido]-5-oxopentanamido]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-14-ethenyl-9-ethyl-4-(hydroxymethyl)-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-2-yl]acetic acid
  • N1-[4-(2-Amino-4-hydroxypteridine-6-ylmethylamino)benzoyl]-N5-[2-[2-[2-[3-[2,7,13,17-tetramethyl-3-ethyl-8-(hydroxymethyl)-10-(2-oxo-2-hydroxyethyl)-18-vinyl-12,13-dihydro-21H,23H-porphyrin-12-yl]propanoylamino]ethoxy]ethoxy]ethyl]-L-glutaminamide