Name: [Pyr1]-Apelin-13
Rating: 5 (10 reviews)

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HIT ID:HIT212659317
Cas No:217082-60-5
常用名:[Pyr1]-Apelin-13
别名:人牛吡啶APELIN-13, [pGlu1]-Apelin-13
IUPAC:2-({1-[2-({1-[2-(6-amino-2-{2-[2-(2-{5-carbamimidamido-2-[(1-{5-carbamimidamido-2-[(5-oxopyrrolidin-2-yl)formamido]pentanoyl}pyrrolidin-2-yl)formamido]pentanamido}-4-methylpentanamido)-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido}hexanamido)acetyl]pyrrolidin-2-yl}formamido)-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid
IUPAC:2-({1-[2-({1-[2-(6-amino-2-{2-[2-(2-{5-carbamimidamido-2-[(1-{5-carbamimidamido-2-[(5-oxopyrrolidin-2-yl)formamido]pentanoyl}pyrrolidin-2-yl)formamido]pentanamido}-4-methylpentanamido)-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido}hexanamido)acetyl]pyrrolidin-2-yl}formamido)-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid
InChI key:GGMAXEWLXWJGSF-UHFFFAOYSA-N

分子式:C69H108N22O16S
分子量:1533.82
氢键供体数 (HBD):20
氢键受体数 (HBA):24
LogP:-9.507308
SMILES:CSCCC(NC(=O)C1CCCN1C(=O)CNC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O
SMILES:CSCCC(NC(=O)C1CCCN1C(=O)CNC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O

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