Metkephamid Acetate
[CAS# 69924-15-8]

Identification

• Name: Metkephamid Acetate
• Synonyms: [4-[(2S)-2-Amino-3-[[(1R)-1-Methyl-2-[[2-[[(1S)-2-[[(2S)-2-Methylamino-4-Methylsulfanyl-Butanoyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-3-Oxo-Propyl]Phenyl] Acetate; Acetic Acid [4-[(2S)-2-Amino-3-[[(1R)-1-Methyl-2-[[2-[[(1S)-2-[[(2S)-2-Methylamino-4-(Methylthio)-1-Oxobutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-3-Oxopropyl]Phenyl] Ester; Acetic Acid [4-[(2S)-2-Amino-3-[[(1R)-2-[[2-[[(1S)-1-(Benzyl)-2-Keto-2-[[(2S)-2-Methylamino-4-(Methylthio)Butanoyl]Amino]Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-3-Keto-Propyl]Phenyl] Ester
• Molecular Formula: C₃₁H₄₂N₆O₇S
• Molecular Weight: 642.77
• CAS Registry Number: 69924-15-8
• SMILES: [C@H](C(=O)NC([C@@H](NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(OC(=O)C)C=C1)=O)C)=O)=O)CC2=CC=CC=C2)=O)(NC)CCSC
• InChI: 1S/C31H42N6O7S/c1-19(35-29(41)24(32)16-22-10-12-23(13-11-22)44-20(2)38)28(40)34-18-27(39)36-26(17-21-8-6-5-7-9-21)31(43)37-30(42)25(33-3)14-15-45-4/h5-13,19,24-26,33H,14-18,32H2,1-4H3,(H,34,40)(H,35,41)(H,36,39)(H,37,42,43)/t19-,24+,25+,26+/m1/s1
• InChIKey: YWFOFPQGHRGPKP-DCSNJQJVSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 968.557°C at 760 mmHg (Cal.)
• Flash point: 539.564°C (Cal.)