6-(N-Carbobenzoxy-Alanyl-Alanyl-Alanylamido)Quinoline
[CAS# 84614-60-8]

Identification

• Name: 6-(N-Carbobenzoxy-Alanyl-Alanyl-Alanylamido)Quinoline
• Synonyms: Phenylmethyl N-[(1S)-2-[[(2S)-2-Aminopropanoyl]-[(1S)-1-Methyl-2-Oxo-2-(6-Quinolylamino)Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamate; N-[(1S)-2-[[(2S)-2-Amino-1-Oxopropyl]-[(1S)-1-Methyl-2-Oxo-2-(6-Quinolylamino)Ethyl]Amino]-1-Methyl-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-2-[Alanyl-[(1S)-2-Keto-1-Methyl-2-(6-Quinolylamino)Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₆H₂₉N₅O₅
• Molecular Weight: 491.55
• CAS Registry Number: 84614-60-8
• SMILES: [C@H](C(=O)NC2=CC=C1N=CC=CC1=C2)(N(C([C@@H](N)C)=O)C([C@@H](NC(=O)OCC3=CC=CC=C3)C)=O)C
• InChI: 1S/C26H29N5O5/c1-16(27)24(33)31(25(34)17(2)29-26(35)36-15-19-8-5-4-6-9-19)18(3)23(32)30-21-11-12-22-20(14-21)10-7-13-28-22/h4-14,16-18H,15,27H2,1-3H3,(H,29,35)(H,30,32)/t16-,17-,18-/m0/s1
• InChIKey: PKIIMGRIJRIORH-BZSNNMDCSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 754.074°C at 760 mmHg (Cal.)
• Flash point: 409.849°C (Cal.)