Name: Cholecystokinin (1-21)
Rating: 5 (10 reviews)

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HIT ID:HIT217584835
Cas No:
常用名:Cholecystokinin (1-21)
别名:CCK-1-21
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}pentanamido]-3-methylbutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanamido]hexanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}pentanamido]-3-methylbutanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanamido]hexanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanoic acid
InChI key:XRNFIRAZDRTPBT-KGCFEYSGSA-N

分子式:C98H169N33O30S
分子量:2321.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

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