Chemical Compound

(2S)-2-{[(2S)-1-[(2S)-2-{[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-27-(4-aminobutyl)-33-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-6,21-bis[(2S)-butan-2-yl]-30-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-5,8,14,20,23,26,29,32-octaoxo-4,7,13,19,22,25,28,31,36,37,38-undecaazatetracyclo[34.2.1.09,13.015,19]nonatriaconta-1(39),37-dien-3-yl]formamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

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(2S)-2-{[(2S)-1-[(2S)-2-{[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-27-(4-aminobutyl)-33-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-6,21-bis[(2S)-butan-2-yl]-30-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-5,8,14,20,23,26,29,32-octaoxo-4,7,13,19,22,25,28,31,36,37,38-undecaazatetracyclo[34.2.1.09,13.015,19]nonatriaconta-1(39),37-dien-3-yl]formamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid 结构式
Primary record

(2S)-2-{[(2S)-1-[(2S)-2-{[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-27-(4-aminobutyl)-33-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-6,21-bis[(2S)-butan-2-yl]-30-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-5,8,14,20,23,26,29,32-octaoxo-4,7,13,19,22,25,28,31,36,37,38-undecaazatetracyclo[34.2.1.09,13.015,19]nonatriaconta-1(39),37-dien-3-yl]formamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177424717
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@@H](CC2=CN(CCC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)[C@@H](C)CC)CO)CCCCN)[C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)N=N2)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC(=O)O)C(=O)O
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)C(CO)NC(=O)[C@H](CCCCN)NC(=O)C([C@@H](C)O)NC(=O)C(NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)CCn2cc(nn2)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)O)NC1=O

名称与同义词

  • J2.948.978E
  • (2S)-2-{[(2S)-1-[(2S)-2-{[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-27-(4-aminobutyl)-33-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-6,21-bis[(2S)-butan-2-yl]-30-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-5,8,14,20,23,26,29,32-octaoxo-4,7,13,19,22,25,28,31,36,37,38-undecaazatetracyclo[34.2.1.09,13.015,19]nonatriaconta-1(39),37-dien-3-yl]formamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
  • Cyclo[Ile-[(S)-2-[[(S)-2-(aminoacetylamino)-5-(amidinoamino)pentanoyl]amino]-4-[4-[(S)-2-amino*-2-[[(S)-1-[[(2S)-2-[[(S)-1,2-dicarboxyethyl]carbamoyl]-1-pyrrolidinyl]carbonyl]-2-phenylethyl]carbamoyl]ethyl]-1H-1,2,3-triazole-1-yl]butyryl]-Thr-Lys-Ser-Ile-Pro-Pro-]