(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[[1-[2-(2-Hydroxyethylamino)-2-Oxoethyl]Imidazol-2-Yl]Amino]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 104939-14-2]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-[[1-[2-(2-Hydroxyethylamino)-2-Oxoethyl]Imidazol-2-Yl]Amino]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[1-[2-(2-Hydroxyethylamino)-2-Oxo-Ethyl]Imidazol-2-Yl]Amino]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[[1-[2-(2-Hydroxyethylamino)-2-Oxoethyl]-2-Imidazolyl]Amino]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[[1-[2-(2-Hydroxyethylamino)-2-Keto-Ethyl]Imidazol-2-Yl]Amino]Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₇H₂₇N₇O₈S
• Molecular Weight: 489.50
• CAS Registry Number: 104939-14-2
• SMILES: [C@H](CSNC1=NC=C[N]1CC(NCCO)=O)(C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=O)=O
• InChI: 1S/C17H27N7O8S/c18-10(16(31)32)1-2-12(26)22-11(15(30)21-7-14(28)29)9-33-23-17-20-3-5-24(17)8-13(27)19-4-6-25/h3,5,10-11,25H,1-2,4,6-9,18H2,(H,19,27)(H,20,23)(H,21,30)(H,22,26)(H,28,29)(H,31,32)/t10-,11-/m0/s1
• InChIKey: LOIIXYIFONJUMW-QWRGUYRKSA-N

Properties

• Density: 1.624g/cm³ (Cal.)