Calcium 2-[(1R)-2-[[(5S)-5-Formamido-6-Oxido-6-Oxohexyl]Amino]-2-Oxo-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylate
[CAS# 38956-82-0]

Identification

• Name: Calcium 2-[(1R)-2-[[(5S)-5-Formamido-6-Oxido-6-Oxohexyl]Amino]-2-Oxo-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylate
• Synonyms: Calcium 2-[(1R)-2-[[(5S)-5-Formamido-6-Oxido-6-Oxo-Hexyl]Amino]-2-Oxo-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-Thiazolidine-4-Carboxylate; Calcium 2-[(1R)-2-[[(5S)-5-Formamido-6-Oxido-6-Oxohexyl]Amino]-2-Oxo-1-[(1-Oxo-2-Phenylethyl)Amino]Ethyl]-5,5-Dimethyl-4-Thiazolidinecarboxylate; Calcium 2-[(1R)-2-[[(5S)-5-Formamido-6-Keto-6-Oxido-Hexyl]Amino]-2-Keto-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-Thiazolidine-4-Carboxylate
• Molecular Formula: C₂₃H₃₀CaN₄O₇S
• Molecular Weight: 546.65
• CAS Registry Number: 38956-82-0
• SMILES: [C@H](NC(=O)CC1=CC=CC=C1)(C2SC(C(N2)C([O-])=O)(C)C)C(=O)NCCCC[C@H](NC=O)C([O-])=O.[Ca++]
• InChI: 1S/C23H32N4O7S.Ca/c1-23(2)18(22(33)34)27-20(35-23)17(26-16(29)12-14-8-4-3-5-9-14)19(30)24-11-7-6-10-15(21(31)32)25-13-28;/h3-5,8-9,13,15,17-18,20,27H,6-7,10-12H2,1-2H3,(H,24,30)(H,25,28)(H,26,29)(H,31,32)(H,33,34);/q;+2/p-2/t15-,17+,18?,20?;/m0./s1
• InChIKey: OGEITEPYBFJQMK-FJTAZTEFSA-L

Properties

• Boiling point: 938.2°C at 760 mmHg (Cal.)
• Flash point: 521.2°C (Cal.)