Alanyl-alanyl-glycyl-methionyl-glycyl-phenylalanyl-phenylalanyl-glycyl-alanyl-argininamide
[CAS# 149097-04-1]

Identification

• Name: Alanyl-alanyl-glycyl-methionyl-glycyl-phenylalanyl-phenylalanyl-glycyl-alanyl-argininamide
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]-5-Guanidino-Pentanamide; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-5-Guanidinopentanamide; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-(Alanylamino)Propanoyl]Amino]Acetyl]Amino]-4-(Methylthio)Butanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]-5-Guanidino-Valeramide
• Molecular Formula: C₄₄H₆₆N₁₄O₁₀S
• Molecular Weight: 983.15
• CAS Registry Number: 149097-04-1
• SMILES: [C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)C)C)CCSC)(CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)C
• InChI: 1S/C44H66N14O10S/c1-25(45)38(63)54-26(2)39(64)50-23-35(60)55-31(17-19-69-4)41(66)51-24-36(61)56-33(21-29-14-9-6-10-15-29)43(68)58-32(20-28-12-7-5-8-13-28)42(67)52-22-34(59)53-27(3)40(65)57-30(37(46)62)16-11-18-49-44(47)48/h5-10,12-15,25-27,30-33H,11,16-24,45H2,1-4H3,(H2,46,62)(H,50,64)(H,51,66)(H,52,67)(H,53,59)(H,54,63)(H,55,60)(H,56,61)(H,57,65)(H,58,68)(H4,47,48,49)/t25-,26-,27-,30-,31-,32-,33-/m0/s1
• InChIKey: TUMKXKCPAKKYFR-XHMOLBPZSA-N

Properties

• Density: 1.407g/cm³ (Cal.)