L-Threonyl-L-asparaginyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl-L-Phenylalaninamide
[CAS# 113611-68-0]

Identification

• Name: L-Threonyl-L-asparaginyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl-L-Phenylalaninamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-N-[(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]Butanediamide; (2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1,4-Dioxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-N-[(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]Butanediamide; (2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-Keto-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-N-[(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]Succinamide
• Molecular Formula: C₄₈H₇₅N₁₇O₁₁
• Molecular Weight: 1066.23
• CAS Registry Number: 113611-68-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CC(=O)N)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/C48H75N17O11/c1-25(2)20-32(42(72)59-29(16-10-18-57-47(53)54)40(70)61-31(39(52)69)21-27-12-6-4-7-13-27)62-43(73)33(22-28-14-8-5-9-15-28)63-45(75)34(23-36(49)67)64-41(71)30(17-11-19-58-48(55)56)60-44(74)35(24-37(50)68)65-46(76)38(51)26(3)66/h4-9,12-15,25-26,29-35,38,66H,10-11,16-24,51H2,1-3H3,(H2,49,67)(H2,50,68)(H2,52,69)(H,59,72)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,76)(H4,53,54,57)(H4,55,56,58)/t26-,29+,30+,31+,32+,33+,34+,35+,38+/m1/s1
• InChIKey: YAUWLGCATULGNL-KNECAJLFSA-N