(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(3H-imidazol-4-yl)propanamido]propanamido]propanamido]-3-(3H-imidazol-4-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid | CAS 92915-79-2

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HIT ID:HIT217584525
Cas No:92915-79-2
常用名:(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(3H-imidazol-4-yl)propanamido]propanamido]propanamido]-3-(3H-imidazol-4-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid
常用名:(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(3H-imidazol-4-yl)propanamido]propanamido]propanamido]-3-(3H-imidazol-4-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid
IUPAC:(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]propanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid
IUPAC:(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]propanamido]-3-(1H-imidazol-5-yl)propanamido]propanamido]-4-carboxybutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid
InChI key:GSSMIHQEWAQUPM-AOLPDKKJSA-N

分子式:C74H120N26O25
分子量:1773.931
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](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES:CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O

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