2-[[(2S)-1-[(2-Aminoacetyl)Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]-[3-[3-(2,5-Dioxo-3-Sulfopyrrolidin-1-Yl)Oxy-3-Oxopropyl]Disulfanylpropanoyl]Amino]Ethyl-Trimethylazanium Chloride
[CAS# 119463-04-6]

Identification

• Name: 2-[[(2S)-1-[(2-Aminoacetyl)Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]-[3-[3-(2,5-Dioxo-3-Sulfopyrrolidin-1-Yl)Oxy-3-Oxopropyl]Disulfanylpropanoyl]Amino]Ethyl-Trimethylazanium Chloride
• Synonyms: 2-[[(1S)-2-[(2-Aminoacetyl)Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]-[3-[3-(2,5-Dioxo-3-Sulfo-Pyrrolidin-1-Yl)Oxy-3-Oxo-Propyl]Disulfanylpropanoyl]Amino]Ethyl-Trimethyl-Ammonium Chloride; 2-[[(1S)-2-[(2-Amino-1-Oxoethyl)Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]-[3-[3-[(2,5-Dioxo-3-Sulfo-1-Pyrrolidinyl)Oxy]-3-Oxopropyl]Disulfanyl-1-Oxopropyl]Amino]Ethyl-Trimethylammonium Chloride; 2-[3-[3-(2,5-Diketo-3-Sulfo-Pyrrolidin-1-Yl)Oxy-3-Keto-Propyl]Disulfanylpropanoyl-[(1S)-2-(Glycylamino)-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]Ethyl-Trimethyl-Ammonium Chloride
• Molecular Formula: C₂₆H₃₈ClN₅O₁₁S₃
• Molecular Weight: 728.25
• CAS Registry Number: 119463-04-6
• SMILES: [C@H](N(CC[N+](C)(C)C)C(=O)CCSSCCC(ON1C(=O)C([S](O)(=O)=O)CC1=O)=O)(CC2=CC=C(O)C=C2)C(=O)NC(=O)CN.[Cl-]
• InChI: 1S/C26H37N5O11S3.ClH/c1-31(2,3)11-10-29(19(25(37)28-21(33)16-27)14-17-4-6-18(32)7-5-17)22(34)8-12-43-44-13-9-24(36)42-30-23(35)15-20(26(30)38)45(39,40)41;/h4-7,19-20H,8-16,27H2,1-3H3,(H2-,28,32,33,37,39,40,41);1H/t19-,20?;/m0./s1
• InChIKey: ZOXUPCISYWBYGE-CQLADDOKSA-N