Name: (4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
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HIT ID:HIT218840099
Cas No:1200829-06-6
常用名:(4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
常用名:(4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
InChI key:SUNCJLJFTXNIMH-BAKYWRNVSA-N

分子式:C38H62N10O12
分子量:850.972
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(O)=O

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