Tert-Butyl N-[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-4-Guanidino-1-[(4-Methyl-2-Oxo-Chromen-7-Yl)Carbamoyl]Butyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]-4-Oxo-Butyl]Carbamate
[CAS# 113866-20-9]

Identification

• Name: Tert-Butyl N-[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-4-Guanidino-1-[(4-Methyl-2-Oxo-Chromen-7-Yl)Carbamoyl]Butyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]-4-Oxo-Butyl]Carbamate
• Synonyms: BOC-GLN-ALA-ARG-7-AMINO-4-METHYLCOUMARIN
• Molecular Formula: C₂₉H₄₂N₈O₈
• Molecular Weight: 630.69
• CAS Registry Number: 113866-20-9
• SMILES: Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)OC(C)(C)C
• InChI: 1S/C29H42N8O8/c1-15-13-23(39)44-21-14-17(8-9-18(15)21)35-26(42)19(7-6-12-33-27(31)32)36-24(40)16(2)34-25(41)20(10-11-22(30)38)37-28(43)45-29(3,4)5/h8-9,13-14,16,19-20H,6-7,10-12H2,1-5H3,(H2,30,38)(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H4,31,32,33)/t16-,19-,20-/m0/s1
• InChIKey: LQSLBVXESNRILG-VDGAXYAQSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Refractive index: 1.622 (Cal.)