Chemical Compound

2-[(3S)-3-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-2-(2,3-dihydro-1H-inden-2-yl)acetamido]-3-hydroxypropanamido]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetic acid

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2-[(3S)-3-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-2-(2,3-dihydro-1H-inden-2-yl)acetamido]-3-hydroxypropanamido]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetic acid 结构式
Primary record

2-[(3S)-3-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-2-(2,3-dihydro-1H-inden-2-yl)acetamido]-3-hydroxypropanamido]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102370505
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](C3CC4=CC=CC=C4C3)C(=O)N[C@@H](CO)C(=O)N[C@@H]5CSC6=CC=CC=C6N(C5=O)CC(=O)O)O
Canonical SMILES
NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)O)C1=O)C1Cc2ccccc2C1

名称与同义词

  • JMV-1639
  • J1.370.166K
  • (3S)-3-[[L-Lys-L-Lys-L-Arg-L-Pro-L-t4Hyp-Gly-[(2S)-2-(Indan-2-yl)-Gly-]-L-Ser-]amino]-2,3,4,5-tetrahydro-4-oxo-1,5-benzothiazepine-5-acetic acid
  • 2-[(3S)-3-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-2-(2,3-dihydro-1H-inden-2-yl)acetamido]-3-hydroxypropanamido]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetic acid