Metkephamid
[CAS# 66960-34-7]

Identification

• Name: Metkephamid
• Synonyms: (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-2-Methylamino-4-Methylsulfanyl-Butanamide; (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Methylamino-4-(Methylthio)Butanamide; (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]-2-Methylamino-4-(Methylthio)Butyramide
• Molecular Formula: C₂₉H₄₀N₆O₆S
• Molecular Weight: 600.73
• CAS Registry Number: 66960-34-7
• SMILES: [C@H](C(=O)NC([C@@H](NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)=O)CC2=CC=CC=C2)=O)(NC)CCSC
• InChI: 1S/C29H40N6O6S/c1-18(33-27(39)22(30)15-20-9-11-21(36)12-10-20)26(38)32-17-25(37)34-24(16-19-7-5-4-6-8-19)29(41)35-28(40)23(31-2)13-14-42-3/h4-12,18,22-24,31,36H,13-17,30H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)(H,35,40,41)/t18-,22+,23+,24+/m1/s1
• InChIKey: SVEWNGAVTOVJOT-JMBSJVKXSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 975.894°C at 760 mmHg (Cal.)
• Flash point: 544.001°C (Cal.)