5-Oxo-L-prolyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-arginyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-Methioninamide
[CAS# 26145-48-2]

Identification

• Name: 5-Oxo-L-prolyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-arginyl-L-phenylalanyl-L-isoleucylglycyl-L-leucyl-L-Methioninamide
• Synonyms: 2-[[(2S)-1-[(2S)-4-Amino-4-Oxo-2-[(5-Oxopyrrolidine-2-Carbonyl)Amino]Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Butanediamide; 2-[[[(2S)-1-[(2S)-4-Amino-1,4-Dioxo-2-[[Oxo-(5-Oxo-2-Pyrrolidinyl)Methyl]Amino]Butyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-N-[(1S)-1-[[[(1S)-2-[[(1S,2S)-1-[[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Butanediamide; 2-[[(2S)-1-[(2S)-4-Amino-4-Keto-2-(Pyroglutamoylamino)Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1S)-1-[[(1S)-1-(Benzyl)-2-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Succinamide
• Molecular Formula: C₅₂H₈₂N₁₆O₁₃S
• Molecular Weight: 1171.38
• CAS Registry Number: 26145-48-2
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)C2NC(=O)CC2)CC(=O)N)C(=O)NC(CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)CC3=CC=CC=C3
• InChI: 1S/C52H82N16O13S/c1-6-28(4)42(50(80)59-26-41(72)61-33(22-27(2)3)46(76)62-30(43(55)73)18-21-82-5)67-48(78)34(23-29-12-8-7-9-13-29)64-44(74)31(14-10-19-58-52(56)57)63-47(77)35(24-38(53)69)65-49(79)37-15-11-20-68(37)51(81)36(25-39(54)70)66-45(75)32-16-17-40(71)60-32/h7-9,12-13,27-28,30-37,42H,6,10-11,14-26H2,1-5H3,(H2,53,69)(H2,54,70)(H2,55,73)(H,59,80)(H,60,71)(H,61,72)(H,62,76)(H,63,77)(H,64,74)(H,65,79)(H,66,75)(H,67,78)(H4,56,57,58)/t28-,30-,31-,32?,33-,34-,35?,36-,37-,42-/m0/s1
• InChIKey: GGIXGYYACCFXOQ-SDSVEIOUSA-N

Properties

• Density: 1.472g/cm³ (Cal.)