Name: WNRQLYPEWTEAQRLD
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT219422933
Cas No:
常用名:WNRQLYPEWTEAQRLD
别名:Trp-Asn-Arg-Gln-Leu-Tyr-Pro-Glu-Trp-Thr-Glu-Ala-Gln-Arg-Leu-Asp
别名:Trp-Asn-Arg-Gln-Leu-Tyr-Pro-Glu-Trp-Thr-Glu-Ala-Gln-Arg-Leu-Asp
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carboxybutanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]butanedioic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carboxybutanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]butanedioic acid
InChI key:DBMYAWCTMFRJAH-WRYXOONZSA-N

分子式:C95H137N27O28
分子量:2105.302
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
SMILES:[H][C@](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O

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