• ChemBase编号: 103800
• 分子式: C120H188N34O35S
• 平均质量: 2699.04852
• 单一同位素质量: 2697.36970489
• SMILES: NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(C)CC)C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CCSC)CCC(=O)N)CCC(=O)O
• InChI: InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)
• InChIKey: LVRVABPNVHYXRT-UHFFFAOYSA-N

名称和登记号

名称

• 别名: Phe-Val-Pro-Ile-Phe-Thr-Tyr-Gly-Glu-Leu-Gln-Arg-Met-Gln-Glu-Lys-Glu-Arg-Asn-Lys-Gly-Gln; MOTILIN

登记号

• CAS号: 52906-92-0
• PubChem SID: 162091474
• PubChem CID: 16129683

理论计算性质

• Acid pKa: 2.8481202
• 质子受体: 44
• 质子供体: 39
• LogD (pH = 5.5): -20.452585
• LogD (pH = 7.4): -20.439455
• Log P: -20.438946
• 摩尔折射率: 697.1415 cm^3
• 极化性: 264.75192 Å^3
• 极化表面积: 1166.19 Å^2
• 可自由旋转的化学键: 93
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 02152885

Source/Species: Porcine
Exhibits gastric motor-stimulating ability.

参考文献

• Brown, J.C., et al., Can. J. Biochem., 51: 533 (1973).