Chemical Compound

(2S)-2-[(2S)-2-[(2S)-2-{[(3S,9S,12S,18S,24S,27S)-3,18-bis[(2S,3S)-2-amino-3-methylpentanamido]-24-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexaazatricyclo[25.3.0.012,16]triacontan-9-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide

CAS Registry Number 158859-98-4
返回搜索 申请报价
(2S)-2-[(2S)-2-[(2S)-2-{[(3S,9S,12S,18S,24S,27S)-3,18-bis[(2S,3S)-2-amino-3-methylpentanamido]-24-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexaazatricyclo[25.3.0.012,16]triacontan-9-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide 结构式
Primary record

(2S)-2-[(2S)-2-[(2S)-2-{[(3S,9S,12S,18S,24S,27S)-3,18-bis[(2S,3S)-2-amino-3-methylpentanamido]-24-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexaazatricyclo[25.3.0.012,16]triacontan-9-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide

库存
5,089 克
纯度
98.4 %
CAS
158859-98-4

化合物标识与属性

CAS
158859-98-4
PubChem CID
16133848
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N)N
Canonical SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O

名称与同义词

  • CHEMBL2110365
  • BDBM50409214
  • GR 231118
  • GR-231118
  • J709.597J
  • (2S)-2-[(2S)-2-[(2S)-2-{[(3S,9S,12S,18S,24S,27S)-3,18-bis[(2S,3S)-2-amino-3-methylpentanamido]-24-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexaazatricyclo[25.3.0.012,16]triacontan-9-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-4-methylpentanamide
  • (3S,9S,12S,18S,24S,27S)-9-N,24-N-Bis[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3,18-bis[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexazatricyclo[25.3.0.012,16]triacontane-9,24-dicarboxamide
  • 158859-98-4