5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[4-[(2S)-3-Amino-2-[(4-Methoxynaphthalen-2-Yl)Amino]-3-Oxopropyl]Phenyl]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 132806-29-2]

Identification

• Name: 5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[4-[(2S)-3-Amino-2-[(4-Methoxynaphthalen-2-Yl)Amino]-3-Oxopropyl]Phenyl]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: 5-[[(1S)-2-[[(1S)-2-[[(1S)-2-[4-[(2S)-3-Amino-2-[(4-Methoxy-2-Naphthyl)Amino]-3-Oxo-Propyl]Phenyl]-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; 5-[[(1S)-2-[[(1S)-2-[[(1S)-2-[4-[(2S)-3-Amino-2-[(4-Methoxy-2-Naphthyl)Amino]-3-Oxopropyl]Phenyl]-1-Methyl-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-5-Oxopentanoic Acid; 5-[[(1S)-2-[[(1S)-2-[[(1S)-2-[4-[(2S)-3-Amino-3-Keto-2-[(4-Methoxy-2-Naphthyl)Amino]Propyl]Phenyl]-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₀H₄₅N₅O₈
• Molecular Weight: 723.82
• CAS Registry Number: 132806-29-2
• SMILES: [C@H](C(=O)N)(NC2=CC(=C1C=CC=CC1=C2)OC)CC3=CC=C(C=C3)C([C@@H](NC([C@@H](NC([C@@H](NC(CCCC(=O)O)=O)CC4=CC=CC=C4)=O)C)=O)C)=O
• InChI: 1S/C40H45N5O8/c1-24(42-39(51)25(2)43-40(52)33(21-26-10-5-4-6-11-26)45-35(46)14-9-15-36(47)48)37(49)28-18-16-27(17-19-28)20-32(38(41)50)44-30-22-29-12-7-8-13-31(29)34(23-30)53-3/h4-8,10-13,16-19,22-25,32-33,44H,9,14-15,20-21H2,1-3H3,(H2,41,50)(H,42,51)(H,43,52)(H,45,46)(H,47,48)/t24-,25-,32-,33-/m0/s1
• InChIKey: JWYGLNCZTFALSR-HXBJNPKNSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 1130.742°C at 760 mmHg (Cal.)
• Flash point: 637.65°C (Cal.)