(2S)-6-Amino-N-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]-2-[[1-Chloro-6-(Diaminomethylideneamino)-2-Oxohexan-3-Yl]Amino]Hexanamide
[CAS# 123496-54-8]

Identification

• Name: (2S)-6-Amino-N-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]-2-[[1-Chloro-6-(Diaminomethylideneamino)-2-Oxohexan-3-Yl]Amino]Hexanamide
• Synonyms: (2S)-6-Amino-N-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]-2-[[1-(2-Chloroacetyl)-4-Guanidino-Butyl]Amino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]-2-[[1-(2-Chloro-1-Oxoethyl)-4-Guanidinobutyl]Amino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]-2-[[1-Chloro-6-(Diaminomethylideneamino)-2-Oxo-Hexan-3-Yl]Amino]Hexanamide
• Molecular Formula: C₂₅H₄₁ClN₈O₅
• Molecular Weight: 569.10
• CAS Registry Number: 123496-54-8
• SMILES: [C@H](NC(CCCN=C(N)N)C(=O)CCl)(CCCCN)C(=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C
• InChI: 1S/C25H41ClN8O5/c1-15(32-23(38)18(28)13-16-7-9-17(35)10-8-16)22(37)34-24(39)20(5-2-3-11-27)33-19(21(36)14-26)6-4-12-31-25(29)30/h7-10,15,18-20,33,35H,2-6,11-14,27-28H2,1H3,(H,32,38)(H4,29,30,31)(H,34,37,39)/t15-,18-,19?,20-/m0/s1
• InChIKey: OLMDLIMSPBDHPX-GZKUECPQSA-N