(P-AMINO-PHE6)-ANGIOTENSIN II

The Angiotensin II,5-L-isoleucine-6-(4-amino-L-phenylalanine)-, with CAS registry number 90937-05-6, has the systematic name of L-α-aspartyl-N5-(diaminomethylidene)ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-4-amino-L-phenylalanyl-L-prolyl-L-phenylalanine. And the chemical formula of this chemical is C₅₃H₇₄N₁₂O₁₂. This chemical should be stored at the temperature of -15°C.

Physical properties of Angiotensin II,5-L-isoleucine-6-(4-amino-L-phenylalanine)-: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.01; (8)ACD/KOC (pH 7.4): 3.92; (9)#H bond acceptors: 24; (10)#H bond donors: 17; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 229.32 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 279.1 cm³; (15)Molar Volume: 762.2 cm³; (16)Polarizability: 110.64×10^-24cm³; (17)Surface Tension: 59.8 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)Cc1ccccc1)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](N)CC(=O)O)CCC/N=C(\N)N)C(C)C)Cc2ccc(O)cc2)[C@@H](C)CC)Cc3ccc(N)cc3)CCC4
(2)InChI: InChI=1/C53H74N12O12/c1-5-30(4)44(50(74)61-39(26-32-15-19-34(54)20-16-32)51(75)65-24-10-14-41(65)48(72)62-40(52(76)77)27-31-11-7-6-8-12-31)64-47(71)38(25-33-17-21-35(66)22-18-33)60-49(73)43(29(2)3)63-46(70)37(13-9-23-58-53(56)57)59-45(69)36(55)28-42(67)68/h6-8,11-12,15-22,29-30,36-41,43-44,66H,5,9-10,13-14,23-28,54-55H2,1-4H3,(H,59,69)(H,60,73)(H,61,74)(H,62,72)(H,63,70)(H,64,71)(H,67,68)(H,76,77)(H4,56,57,58)/t30-,36-,37?,38-,39-,40-,41-,43-,44-/m0/s1
(3)InChIKey: WXEDXHQFMNILKZ-YQOSKVEBBS
(4)Std. InChI: InChI=1S/C53H74N12O12/c1-5-30(4)44(50(74)61-39(26-32-15-19-34(54)20-16-32)51(75)65-24-10-14-41(65)48(72)62-40(52(76)77)27-31-11-7-6-8-12-31)64-47(71)38(25-33-17-21-35(66)22-18-33)60-49(73)43(29(2)3)63-46(70)37(13-9-23-58-53(56)57)59-45(69)36(55)28-42(67)68/h6-8,11-12,15-22,29-30,36-41,43-44,66H,5,9-10,13-14,23-28,54-55H2,1-4H3,(H,59,69)(H,60,73)(H,61,74)(H,62,72)(H,63,70)(H,64,71)(H,67,68)(H,76,77)(H4,56,57,58)/t30-,36-,37?,38-,39-,40-,41-,43-,44-/m0/s1
(5)Std. InChIKey: WXEDXHQFMNILKZ-YQOSKVEBSA-N