ACTH (4-11)

The Methionyl-glutamyl-histidinyl-phenylalanyl-argininyl-tryptophanyl-glycinyl-lysine with the cas registry number of 67224-41-3 belongs to the product categories of peptide. Its molecular formula is C₅₀H₇₁N₁₅O₁₁S and its molecular weight is 1090.26. This chemical is also known as Adrenocorticotropic hormone fragment 4-11 and ACTH (4-11). Its IUPAC name and systematic name are the same which is called (2S)-6-Amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 26; (4)#H bond donors: 18; (5)#Freely Rotating Bonds: 37; (6)Polar Surface Area: 275.04 Å²; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 281.05 cm³; (9)Molar Volume: 741.9 cm³; (10)Surface Tension: 66.1 dyne/cm; (11)Density: 1.46 g/cm³; (12)Storage Temp.: -15°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1C=NC=N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)NC(CCCCN)C(=O)O)N;
(2)Isomeric SMILES: CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)N;
(3)InChI: InChI=1S/C50H71N15O11S/c1-77-21-18-33(52)43(69)61-36(16-17-42(67)68)46(72)65-40(24-31-26-55-28-59-31)48(74)63-38(22-29-10-3-2-4-11-29)47(73)62-35(15-9-20-56-50(53)54)45(71)64-39(23-30-25-57-34-13-6-5-12-32(30)34)44(70)58-27-41(66)60-37(49(75)76)14-7-8-19-51/h2-6,10-13,25-26,28,31,33,35-40,57H,7-9,14-24,27,51-52H2,1H3,(H,58,70)(H,60,66)(H,61,69)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,67,68)(H,75,76(H4,53,54,56)/t31?,33-,35-,36-,37-,38-,39-,40-/m0/s1.