(S)-N2-((4-((2-Naphthalenylcarbonyl)amino)phenyl)acetyl)-L-arginyl-L-isoleucyl-L-alpha-aspartyl-N-(2-methylbutyl)-L-argininamide
[CAS# 124833-45-0]

Identification

• Name: (S)-N2-((4-((2-Naphthalenylcarbonyl)amino)phenyl)acetyl)-L-arginyl-L-isoleucyl-L-alpha-aspartyl-N-(2-methylbutyl)-L-argininamide
• Synonyms: (3S)-4-[[(2S)-5-Guanidino-2-[[(2S)-2-Methylbutyl]Amino]Pentanoyl]Amino]-3-[[(2S,3S)-2-[[(2S)-5-Guanidino-2-[[2-[4-(Naphthalene-2-Carbonylamino)Phenyl]Acetyl]Amino]Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(2S)-5-Guanidino-2-[[(2S)-2-Methylbutyl]Amino]-1-Oxopentyl]Amino]-3-[[(2S,3S)-2-[[(2S)-5-Guanidino-2-[[2-[4-[(2-Naphthyl-Oxomethyl)Amino]Phenyl]-1-Oxoethyl]Amino]-1-Oxopentyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(2S)-5-Guanidino-2-[[(2S)-2-Methylbutyl]Amino]Pentanoyl]Amino]-3-[[(2S,3S)-2-[[(2S)-5-Guanidino-2-[[2-[4-(Naphthalene-2-Carbonylamino)Phenyl]Acetyl]Amino]Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₆H₆₆N₁₂O₈
• Molecular Weight: 915.10
• CAS Registry Number: 124833-45-0
• SMILES: [C@@H]([C@H](NC(=O)[C@@H](NC(=O)CC3=CC=C(NC(=O)C2=CC1=CC=CC=C1C=C2)C=C3)CCCN=C(N)N)C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC[C@H](CC)C)CCCN=C(N)N)CC(O)=O)(CC)C
• InChI: 1S/C46H66N12O8/c1-5-27(3)26-53-34(13-9-21-51-45(47)48)41(63)58-43(65)36(25-38(60)61)56-44(66)39(28(4)6-2)57-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39,53H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,54,62)(H,55,59)(H,56,66)(H,57,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)(H,58,63,65)/t27-,28-,34-,35-,36-,39-/m0/s1
• InChIKey: CWKUICQDCFQXIS-OCFLPWLCSA-N

Properties

• Density: 1.338g/cm³ (Cal.)