(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-(4-Chlorophenyl)Propanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 77062-77-2]

Identification

• Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-(4-Chlorophenyl)Propanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-(4-Chlorophenyl)Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-3-(4-Chlorophenyl)-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-(4-Chlorophenyl)Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₉H₃₈ClN₅O₇
• Molecular Weight: 604.10
• CAS Registry Number: 77062-77-2
• SMILES: [C@H](C(=O)O)(CC(C)C)NC([C@@H](NC(CNC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)=O)CC2=CC=C(C=C2)Cl)=O
• InChI: 1S/C29H38ClN5O7/c1-16(2)12-24(29(41)42)35-28(40)23(14-19-4-8-20(30)9-5-19)34-25(37)15-32-26(38)17(3)33-27(39)22(31)13-18-6-10-21(36)11-7-18/h4-11,16-17,22-24,36H,12-15,31H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)(H,35,40)(H,41,42)/t17-,22+,23+,24-/m1/s1
• InChIKey: SOBBNYOSNCXSGC-XECWOPBBSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 1005.761°C at 760 mmHg (Cal.)
• Flash point: 562.064°C (Cal.)