142061-53-8 (去氨基苯丙氨酰-组氨酰-色氨酰-丙氨酰-缬氨酰-D-丙氨酰-组氨酰-D-吡咯烷2-甲基-苯丙氨酰胺,L-Phenylalaninamide,N-(1-oxo-3-phenylpropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-D-prolyl-y(CH2-NH)-)

CAS号:
142061-53-8
中文名称:
去氨基苯丙氨酰-组氨酰-色氨酰-丙氨酰-缬氨酰-D-丙氨酰-组氨酰-D-吡咯烷2-甲基-苯丙氨酰胺
英文名称:
L-Phenylalaninamide,N-(1-oxo-3-phenylpropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-D-prolyl-y(CH2-NH)-
分子式:
C57H72N14O8
分子量:
1081.27059173584

去氨基苯丙氨酰-组氨酰-色氨酰-丙氨酰-缬氨酰-D-丙氨酰-组氨酰-D-吡咯烷2-甲基-苯丙氨酰胺(142061-53-8)名称与标识符

名称

中文别名:
去氨基苯丙氨酰-组氨酰-色氨酰-丙氨酰-缬氨酰-D-丙氨酰-组氨酰-D-吡咯烷2-甲基-苯丙氨酰胺;
英文别名:
L-Phenylalaninamide,N-(1-oxo-3-phenylpropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-D-prolyl-y(CH2-NH)-;(DEAMINO-PHE19,D-ALA24,D-PRO26-(?-PHE27)-GRP (19-27) (HUMAN, PORCINE, CANINE);(Deamino-Phe¹⁹,D-Ala²⁴,D-Pro²⁶-psi(CH₂NH)Phe²⁷)-GRP (19-27) (human, porcine, canine);(DEAMINO-PHE6, HIS7, D-ALA11, D-PRO13-PS I(CH2NH)-P;L-Phenylalaninamide,N-(1-oxo-3-phenylpropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl...;Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-(@)-Phe-NH2;Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-psi[CH2NH]-Phe-NH2;(deamino-phe6;Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-ω[CH2NH]-Phe-NH2;[deamino-Phe6, His7, D-Ala11, D-Pro13-ψ(CH2NH)-Phe14]-Bombesin fragment 6-14;(Deamino-Phe19,D-Ala24,D-Pro26-psi(CH2NH)Phe27)-GRP (19-27) (human, porcine, canine) trifluoroacetate salt Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-psi(CH2NH)Phe-NH2 trifluoroacetate salt;

标识符

InChIKey:
XLYQOKWAPHMGLO-UHFFFAOYSA-N
Inchi:
1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)
SMILES:
C(C1=CNC2C=CC=CC1=2)C(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC1NC=NC=1)C(N1CCCC1CNC(C(=O)N)CC1C=CC=CC=1)=O)NC(=O)C(NC(=O)CCC1C=CC=CC=1)CC1NC=NC=1

去氨基苯丙氨酰-组氨酰-色氨酰-丙氨酰-缬氨酰-D-丙氨酰-组氨酰-D-吡咯烷2-甲基-苯丙氨酰胺(142061-53-8)物化性质

实验特性

  • LogP : 4.93110
  • PSA : 323.18000
  • 沸点 : 1528.4±65.0 °C(Predicted)
  • 酸度系数(pKa) : 13.38±0.46(Predicted)
  • 密度 : 1.294±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 1080.57000
  • 氢键供体数量 : 11
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 35
  • 重原子数量 : 79

去氨基苯丙氨酰-组氨酰-色氨酰-丙氨酰-缬氨酰-D-丙氨酰-组氨酰-D-吡咯烷2-甲基-苯丙氨酰胺(142061-53-8)安全信息