Name: IYPTNGYTR
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214322549
Cas No:1431957-72-0
常用名:IYPTNGYTR
IUPAC:(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-3-carbamoylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoic acid
IUPAC:(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-3-carbamoylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoic acid
InChI key:WQWLVFWIZHYUJC-ROJRYPEQSA-N

分子式:C49H73N13O15
分子量:1084.199
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

IYPTNGYTR, a deamidation-sensitive peptide, is a deamidation derivative of Trastuzumab. This compound, IYPTNGYTR, can be utilized for monitoring Trastuzumab metabolism in vivo.

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