[(3S)-3-[[(2S)-6-Amino-1-[[(2S)-2-Aminopropanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-6-(Diaminomethylideneamino)-2-Oxohexyl]-Dimethylsulfanium
[CAS# 120218-56-6]

Identification

• Name: [(3S)-3-[[(2S)-6-Amino-1-[[(2S)-2-Aminopropanoyl]Amino]-1-Oxohexan-2-Yl]Amino]-6-(Diaminomethylideneamino)-2-Oxohexyl]-Dimethylsulfanium
• Synonyms: [(3S)-3-[[(1S)-5-Amino-1-[[(2S)-2-Aminopropanoyl]Carbamoyl]Pentyl]Amino]-6-Guanidino-2-Oxo-Hexyl]-Dimethyl-Sulfonium; [(3S)-3-[[(1S)-5-Amino-1-[[[(2S)-2-Amino-1-Oxopropyl]Amino]-Oxomethyl]Pentyl]Amino]-6-Guanidino-2-Oxohexyl]-Dimethylsulfonium; [(3S)-3-[[(1S)-1-(Alanylcarbamoyl)-5-Amino-Pentyl]Amino]-6-Guanidino-2-Keto-Hexyl]-Dimethyl-Sulfonium
• Molecular Formula: C₁₈H₃₈N₇O₃S
• Molecular Weight: 432.60
• CAS Registry Number: 120218-56-6
• SMILES: [C@H](N[C@@H](CCCCN)C(=O)NC(=O)[C@@H](N)C)(CCCN=C(N)N)C(=O)C[S+](C)C
• InChI: 1S/C18H37N7O3S/c1-12(20)16(27)25-17(28)14(7-4-5-9-19)24-13(15(26)11-29(2)3)8-6-10-23-18(21)22/h12-14,24H,4-11,19-20H2,1-3H3,(H4-,21,22,23,25,27,28)/p+1/t12-,13-,14-/m0/s1
• InChIKey: JEINHIKMWKOZRF-IHRRRGAJSA-O