ABZ-GLY-4-NITRO-PHE-PRO-OH

The L-Proline, N-(2-aminobenzoyl)glycyl-4-nitro-L-phenylalanyl-, with the CAS registry number 67482-93-3, is also known as N-(2-Aminobenzoyl)glycyl-4-nitro-L-phenylalanyl-L-proline. It belongs to the product category of Amino Acids. And its EINECS registry number is 266-699-1. This chemical's molecular formula is C₂₃H₂₅N₅O₇ and molecular weight is 483.47. What's more, its IUPAC name is (2S)-1-[(2S)-2-[[2-[(2-Aminobenzoyl)amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid. In addition, it must be stored at -15 °C.

Physical properties about L-Proline, N-(2-aminobenzoyl)glycyl-4-nitro-L-phenylalanyl- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.88; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 136.29 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 123.27 cm³; (15)Molar Volume: 338.6 cm³; (16)Polarizability: 48.86×10^-24 cm³; (17)Surface Tension: 73 dyne/cm; (18)Density: 1.427 g/cm³; (19)Flash Point: 503 °C; (20)Enthalpy of Vaporization: 138.31 kJ/mol; (21)Boiling Point: 908.1 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]3N(C(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1N)Cc2ccc([N+]([O-])=O)cc2)CCC3
(2) InChI: InChI=1/C23H25N5O7/c24-17-5-2-1-4-16(17)21(30)25-13-20(29)26-18(12-14-7-9-15(10-8-14)28(34)35)22(31)27-11-3-6-19(27)23(32)33/h1-2,4-5,7-10,18-19H,3,6,11-13,24H2,(H,25,30)(H,26,29)(H,32,33)/t18-,19-/m0/s1
(3) InChIKey: ZCZHTWBKBLMIQM-OALUTQOABV