Chemical Compound

methyl (2S)-6-amino-2-[(2S)-2-({4-[7,12-bis(4-{[(1S)-5-amino-1-[(5-aminopentyl)carbamoyl]pentyl]carbamoyl}phenyl)-17-(4-{[(1S)-1-{[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}phenyl)-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),17,19-undecaen-2-yl]phenyl}formamido)-3-(4-hydroxyphenyl)propanamido]hexanoate

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methyl (2S)-6-amino-2-[(2S)-2-({4-[7,12-bis(4-{[(1S)-5-amino-1-[(5-aminopentyl)carbamoyl]pentyl]carbamoyl}phenyl)-17-(4-{[(1S)-1-{[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}phenyl)-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),17,19-undecaen-2-yl]phenyl}formamido)-3-(4-hydroxyphenyl)propanamido]hexanoate 结构式
Primary record

methyl (2S)-6-amino-2-[(2S)-2-({4-[7,12-bis(4-{[(1S)-5-amino-1-[(5-aminopentyl)carbamoyl]pentyl]carbamoyl}phenyl)-17-(4-{[(1S)-1-{[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}phenyl)-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),17,19-undecaen-2-yl]phenyl}formamido)-3-(4-hydroxyphenyl)propanamido]hexanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177601117
SMILES
COC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC=C(C=C2)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C(C7=CC=C3N7)C8=CC=C(C=C8)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N[C@@H](CCCCN)C(=O)OC)C=C6)C1=CC=C(C=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCCN)N5)C1=CC=C(C=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCCN
Canonical SMILES
COC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)N[C@@H](CCCCN)C(=O)NCCCCCN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)N[C@@H](CCCCN)C(=O)NCCCCCN)cc4)c4nc(c(-c5ccc(C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H](CCCCN)C(=O)OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

名称与同义词

  • J2.292.363C
  • 10,15-Bis[4-[[(S)-1-(5-aminopentylcarbamoyl)-5-aminopentyl]carbamoyl]phenyl]-5,20-bis[4-[[(S)-alpha-[[(S)-1-(methoxycarbonyl)-5-aminopentyl]carbamoyl]-4-hydroxyphenethyl]carbamoyl]phenyl]-21H,23H-porphyrin
  • methyl (2S)-6-amino-2-[(2S)-2-({4-[7,12-bis(4-{[(1S)-5-amino-1-[(5-aminopentyl)carbamoyl]pentyl]carbamoyl}phenyl)-17-(4-{[(1S)-1-{[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}phenyl)-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),17,19-undecaen-2-yl]phenyl}formamido)-3-(4-hydroxyphenyl)propanamido]hexanoate