Tert-Butyl N-[(1R,2S)-1-[(4R,7S)-5,8-Dioxo-7-Propan-2-Yl-12,15,18-Trioxa-3,6,9-Triazabicyclo[17.3.1]Tricosa-1(23),19,21-Trien-4-Yl]-1-Hydroxy-3-Phenylpropan-2-Yl]Carbamate
[CAS# 180968-41-6]

Identification

• Name: Tert-Butyl N-[(1R,2S)-1-[(4R,7S)-5,8-Dioxo-7-Propan-2-Yl-12,15,18-Trioxa-3,6,9-Triazabicyclo[17.3.1]Tricosa-1(23),19,21-Trien-4-Yl]-1-Hydroxy-3-Phenylpropan-2-Yl]Carbamate
• Synonyms: Tert-Butyl N-[(1S,2R)-2-Hydroxy-2-[(4R,7S)-7-Isopropyl-5,8-Dioxo-12,15,18-Trioxa-3,6,9-Triazabicyclo[17.3.1]Tricosa-1(23),19,21-Trien-4-Yl]-1-(Phenylmethyl)Ethyl]Carbamate; N-[(1S,2R)-2-Hydroxy-2-[(4R,7S)-7-Isopropyl-5,8-Dioxo-12,15,18-Trioxa-3,6,9-Triazabicyclo[17.3.1]Tricosa-1(23),19,21-Trien-4-Yl]-1-(Phenylmethyl)Ethyl]Carbamic Acid Tert-Butyl Ester; N-[(1S,2R)-1-(Benzyl)-2-Hydroxy-2-[(4R,7S)-7-Isopropyl-5,8-Diketo-12,15,18-Trioxa-3,6,9-Triazabicyclo[17.3.1]Tricosa-1(23),19,21-Trien-4-Yl]Ethyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₃₄H₅₀N₄O₈
• Molecular Weight: 642.79
• CAS Registry Number: 180968-41-6
• SMILES: [C@@H]2(NCC1=CC=CC(=C1)OCCOCCOCCNC(=O)[C@@H](NC2=O)C(C)C)[C@H](O)[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC=C3
• InChI: 1S/C34H50N4O8/c1-23(2)28-31(40)35-14-15-43-16-17-44-18-19-45-26-13-9-12-25(20-26)22-36-29(32(41)38-28)30(39)27(21-24-10-7-6-8-11-24)37-33(42)46-34(3,4)5/h6-13,20,23,27-30,36,39H,14-19,21-22H2,1-5H3,(H,35,40)(H,37,42)(H,38,41)/t27-,28-,29+,30+/m0/s1
• InChIKey: DQRZWWANHBNSDX-VZNYXHRGSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 887.564°C at 760 mmHg (Cal.)
• Flash point: 490.581°C (Cal.)