Aspartyl-arginyl-asparaginyl-phenylalanyl-leucyl-arginyl-phenylalaninamide
[CAS# 149471-11-4]

Identification

• Name: Aspartyl-arginyl-asparaginyl-phenylalanyl-leucyl-arginyl-phenylalaninamide
• Synonyms: (3S)-3-Amino-4-[[(1S)-1-[[(1S)-3-Amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-3-Oxo-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-1-[[[(1S)-3-Amino-1-[[[(1S)-2-[[(1S)-1-[[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-3-Oxopropyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-1-[[(1S)-3-Amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-3-Keto-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₄H₆₇N₁₅O₁₀
• Molecular Weight: 966.11
• CAS Registry Number: 149471-11-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CCCN=C(N)N)CC(=O)N)CC1=CC=CC=C1)(CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N
• InChI: 1S/C44H67N15O10/c1-24(2)19-31(40(67)55-29(16-10-18-53-44(50)51)38(65)56-30(36(47)63)20-25-11-5-3-6-12-25)57-41(68)32(21-26-13-7-4-8-14-26)58-42(69)33(23-34(46)60)59-39(66)28(15-9-17-52-43(48)49)54-37(64)27(45)22-35(61)62/h3-8,11-14,24,27-33H,9-10,15-23,45H2,1-2H3,(H2,46,60)(H2,47,63)(H,54,64)(H,55,67)(H,56,65)(H,57,68)(H,58,69)(H,59,66)(H,61,62)(H4,48,49,52)(H4,50,51,53)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: DWSQPUHNGRSXSJ-MRNVWEPHSA-N

Properties

• Density: 1.449g/cm³ (Cal.)