Methyl (2R)-6-(1-Aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-4-Methyl-6-Oxo-2-Phenylhexanoate
[CAS# 117783-82-1]

Identification

• Name: Methyl (2R)-6-(1-Aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-4-Methyl-6-Oxo-2-Phenylhexanoate
• Synonyms: Methyl (2R)-6-(1-Aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-4-Methyl-6-Oxo-2-Phenyl-Hexanoate; (2R)-6-(1-Aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-4-Methyl-6-Oxo-2-Phenylhexanoic Acid Methyl Ester; (2R)-6-(1-Aminocyclopropyl)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-6-Keto-4-Methyl-2-Phenyl-Hexanoic Acid Methyl Ester
• Molecular Formula: C₃₁H₄₁N₅O₇
• Molecular Weight: 595.69
• CAS Registry Number: 117783-82-1
• SMILES: [C@@](C(=O)OC)(NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)=O)(CC(CC(=O)C2(CC2)N)C)C3=CC=CC=C3
• InChI: 1S/C31H41N5O7/c1-19(15-25(38)30(33)13-14-30)17-31(29(42)43-3,22-7-5-4-6-8-22)36-26(39)18-34-27(40)20(2)35-28(41)24(32)16-21-9-11-23(37)12-10-21/h4-12,19-20,24,37H,13-18,32-33H2,1-3H3,(H,34,40)(H,35,41)(H,36,39)/t19?,20-,24+,31-/m1/s1
• InChIKey: NTCJYJMDXGFSIF-JZZRHYRJSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 936.544°C at 760 mmHg (Cal.)
• Flash point: 520.203°C (Cal.)