(2S)-2-Amino-N-[(2S,3S)-2-Amino-3-Methylpentanoyl]-2-(3,6-Dihydro-2H-Pyridine-1-Carbonyl)-N-[(2R)-1-(4-Methoxyphenyl)-3-Oxopropan-2-Yl]-4-Methylpentanamide
[CAS# 74245-26-4]

Identification

• Name: (2S)-2-Amino-N-[(2S,3S)-2-Amino-3-Methylpentanoyl]-2-(3,6-Dihydro-2H-Pyridine-1-Carbonyl)-N-[(2R)-1-(4-Methoxyphenyl)-3-Oxopropan-2-Yl]-4-Methylpentanamide
• Synonyms: (2S)-2-Amino-N-[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]-2-(3,6-Dihydro-2H-Pyridine-1-Carbonyl)-N-[(1R)-1-Formyl-2-(4-Methoxyphenyl)Ethyl]-4-Methyl-Pentanamide; (2S)-2-Amino-N-[(2S,3S)-2-Amino-3-Methyl-1-Oxopentyl]-2-(3,6-Dihydro-2H-Pyridin-1-Yl-Oxomethyl)-N-[(1R)-1-Formyl-2-(4-Methoxyphenyl)Ethyl]-4-Methylpentanamide; (2S)-2-Amino-N-[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]-2-(3,6-Dihydro-2H-Pyridine-1-Carbonyl)-N-[(1R)-1-Formyl-2-(4-Methoxyphenyl)Ethyl]-4-Methyl-Valeramide
• Molecular Formula: C₂₈H₄₂N₄O₅
• Molecular Weight: 514.66
• CAS Registry Number: 74245-26-4
• SMILES: [C@@H](C=O)(N(C([C@](N)(CC(C)C)C(=O)N1CCC=CC1)=O)C([C@@H](N)[C@H](CC)C)=O)CC2=CC=C(OC)C=C2
• InChI: 1S/C28H42N4O5/c1-6-20(4)24(29)25(34)32(22(18-33)16-21-10-12-23(37-5)13-11-21)27(36)28(30,17-19(2)3)26(35)31-14-8-7-9-15-31/h7-8,10-13,18-20,22,24H,6,9,14-17,29-30H2,1-5H3/t20-,22+,24-,28-/m0/s1
• InChIKey: ZXQMIMZOMRIUBC-FSMARWIQSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 661.647°C at 760 mmHg (Cal.)
• Flash point: 353.951°C (Cal.)