Acetyl-Arg(6)-Septide
[CAS# 116097-84-8]

Identification

• Name: Acetyl-Arg(6)-Septide
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]-N-[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-5-Guanidino-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]-N-[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-5-Guanidino-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]-N-[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₂H₆₂N₁₀O₇S
• Molecular Weight: 851.07
• CAS Registry Number: 116097-84-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCCN=C(N)N)CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N
• InChI: 1S/C42H62N10O7S/c1-26(2)23-32(38(56)48-30(36(43)54)19-22-60-4)50-40(58)35-18-12-21-52(35)41(59)34(25-29-15-9-6-10-16-29)51-39(57)33(24-28-13-7-5-8-14-28)49-37(55)31(47-27(3)53)17-11-20-46-42(44)45/h5-10,13-16,26,30-35H,11-12,17-25H2,1-4H3,(H2,43,54)(H,47,53)(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H4,44,45,46)/t30-,31-,32-,33-,34-,35-/m0/s1
• InChIKey: DPVIJCCNTAWHMH-LBBUGJAGSA-N

Properties

• Density: 1.325g/cm³ (Cal.)