Tert-Butyloxycarbonyl-Hydroxyprolyl-alpha-Aminoisobutyryl-alpha-Aminoisobutyryl-Phenylalaninol
[CAS# 82727-36-4]

Identification

• Name: Tert-Butyloxycarbonyl-Hydroxyprolyl-alpha-Aminoisobutyryl-alpha-Aminoisobutyryl-Phenylalaninol
• Synonyms: Tert-Butyl (2S,4S)-2-[(2-Amino-2-Methyl-Propanoyl)-[2-[[1-(Hydroxymethyl)-2-Phenyl-Ethyl]Amino]-2-Methyl-Propanoyl]Carbamoyl]-4-Hydroxy-Pyrrolidine-1-Carboxylate; (2S,4S)-2-[[(2-Amino-2-Methyl-1-Oxopropyl)-[2-[[1-(Hydroxymethyl)-2-Phenylethyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-Oxomethyl]-4-Hydroxy-1-Pyrrolidinecarboxylic Acid Tert-Butyl Ester; (2S,4S)-2-[(2-Amino-2-Methyl-Propanoyl)-[2-[[1-(Benzyl)-2-Hydroxy-Ethyl]Amino]-2-Methyl-Propanoyl]Carbamoyl]-4-Hydroxy-Pyrrolidine-1-Carboxylic Acid Tert-Butyl Ester
• Molecular Formula: C₂₇H₄₂N₄O₇
• Molecular Weight: 534.65
• CAS Registry Number: 82727-36-4
• SMILES: [C@H]2(C(N(C(C(NC(CC1=CC=CC=C1)CO)(C)C)=O)C(C(N)(C)C)=O)=O)N(C[C@H](C2)O)C(=O)OC(C)(C)C
• InChI: 1S/C27H42N4O7/c1-25(2,3)38-24(37)30-15-19(33)14-20(30)21(34)31(22(35)26(4,5)28)23(36)27(6,7)29-18(16-32)13-17-11-9-8-10-12-17/h8-12,18-20,29,32-33H,13-16,28H2,1-7H3/t18?,19-,20-/m0/s1
• InChIKey: SBGGQJWDJBOKAS-YPJRHXLCSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 688.686°C at 760 mmHg (Cal.)
• Flash point: 370.304°C (Cal.)