AC-ARG-ARG-PRO-TYR-ILE-LEU-OH

The L-Leucine,N2-acetyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-, with the CAS registry number 74853-69-3, is also known as Acetylneurotensin (8-13). It belongs to the product categories of Neuropeptides; Neurotensins; Peptides for Cell Biology; Peptide. This chemical's molecular formula is C₄₀H₆₆N₁₂O₉ and molecular weight is 859.03. Its IUPAC name is called (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid.

Physical properties of L-Leucine,N2-acetyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 21; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 26; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 221.54 cm³; (14)Molar Volume: 619 cm³; (15)Surface Tension: 57.3 dyne/cm; (16)Density: 1.38 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@@H](C)CC)Cc1ccc(O)cc1)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC/N=C(\N)N)CCC/N=C(\N)N)CCC2
(2)InChI: InChI=1/C40H66N12O9/c1-6-23(4)32(36(58)50-30(38(60)61)20-22(2)3)51-34(56)29(21-25-13-15-26(54)16-14-25)49-35(57)31-12-9-19-52(31)37(59)28(11-8-18-46-40(43)44)48-33(55)27(47-24(5)53)10-7-17-45-39(41)42/h13-16,22-23,27-32,54H,6-12,17-21H2,1-5H3,(H,47,53)(H,48,55)(H,49,57)(H,50,58)(H,51,56)(H,60,61)(H4,41,42,45)(H4,43,44,46)/t23-,27-,28-,29-,30-,31-,32-/m0/s1
(3)InChIKey: ZUADVYNSAVMKLJ-HVEPFCGMBV