Cholecystokinin Octapeptide free acid (desulfated),Sincalide (free acid) (desulfated) | CAS No. 103974-46-5

Cholecystokinin Octapeptide free acid (desulfated),Sincalide (free acid) (desulfated)

Basic Information

CAS Number

103974-46-5

Molecular Formula

C49H61N9O14S2

Molecular Weight

1064.19 g/mol

AD

Basic Physical Properties

S(C)CC[C@@H](C(N[C@H](C(N[C@H](C(=O)O)CC1C=CC=CC=1)=O)CC(=O)O)=O)NC([C@H](CC1=CNC2C=CC=CC1=2)NC(CNC([C@H](CCSC)NC([C@H](CC1C=CC(=CC=1)O)NC([C@H](CC(=O)O)N)=O)=O)=O)=O)=O

InChI

1S/C49H61N9O14S2/c1-73-18-16-34(54-46(68)36(20-28-12-14-30(59)15-13-28)56-43(65)32(50)23-41(61)62)44(66)52-26-40(60)53-37(22-29-25-51-33-11-7-6-10-31(29)33)47(69)55-35(17-19-74-2)45(67)57-38(24-42(63)64)48(70)58-39(49(71)72)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,51,59H,16-24,26,50H2,1-2H3,(H,52,66)(H,53,60)(H,54,68)(H,55,69)(H,56,65)(H,57,67)(H,58,70)(H,61,62)(H,63,64)(H,71,72)/t32-,34-,35-,36-,37-,38-,39-/m0/s1

InChIKey

PUZFEBZBSNCBNS-YRVFCXMDSA-N

LogP

-0.2060999999999903

Topological Polar Surface Area

377.63999999999993 Ų

Hydrogen Bond Donor/Acceptor

14 / 23

Complexity

1920

Synonyms & References

English

  • Cholecystokinin Octapeptide free acid (desulfated)
  • (3S)-3-Amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenyle
  • (3S)-3-Amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
  • H-Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-OH

MDL Number

MFCD00076489

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