N²-(2-Aminobenzoyl)-L-Lysyl-L-Alanyl-L-Arginyl-L-Valyl-L-Norleucyl-4-Nitro-L-Phenylalanyl-L-alpha-Glutamyl-L-Alanyl-L-Norleucinamide
[CAS# 141223-69-0]

Identification

• Name: N²-(2-Aminobenzoyl)-L-Lysyl-L-Alanyl-L-Arginyl-L-Valyl-L-Norleucyl-4-Nitro-L-Phenylalanyl-L-alpha-Glutamyl-L-Alanyl-L-Norleucinamide
• Synonyms: ANTHRANILYL-HIVPROTEASESUBSTRATEIV; L-Norleucinamide, N²-(2-aminobenzoyl)-L-lysyl-L-alanyl-L-arginyl-L-valyl-L-norleucyl-4-nitro-L-phenylalanyl-L-α-glutamyl-L-alanyl-
• Molecular Formula: C₅₆H₈₈N₁₆O₁₄
• Molecular Weight: 1209.40
• CAS Registry Number: 141223-69-0
• SMILES: CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@H](CCCC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)c2ccccc2N
• InChI: 1S/C56H88N16O14/c1-7-9-18-38(46(59)75)65-47(76)32(5)64-51(80)42(26-27-44(73)74)68-54(83)43(30-34-22-24-35(25-23-34)72(85)86)70-52(81)39(19-10-8-2)69-55(84)45(31(3)4)71-53(82)41(21-15-29-62-56(60)61)66-48(77)33(6)63-50(79)40(20-13-14-28-57)67-49(78)36-16-11-12-17-37(36)58/h11-12,16-17,22-25,31-33,38-43,45H,7-10,13-15,18-21,26-30,57-58H2,1-6H3,(H2,59,75)(H,63,79)(H,64,80)(H,65,76)(H,66,77)(H,67,78)(H,68,83)(H,69,84)(H,70,81)(H,71,82)(H,73,74)(H4,60,61,62)/t32-,33-,38-,39-,40-,41-,42-,43-,45-/m0/s1
• InChIKey: BXBJVWUVNVSLAM-ZUVVEKKPSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.632 (Cal.)