(2S,3S)-2-[[(1,3-Dioxoisoindol-2-Yl)Methyl-(Phenylmethoxy)Phosphoryl]Amino]-N-[(2S)-3-(1H-Indol-3-Yl)-2-(Phenylmethylamino)Propanoyl]-3-Methylpentanamide
[CAS# 125009-80-5]

Identification

• Name: (2S,3S)-2-[[(1,3-Dioxoisoindol-2-Yl)Methyl-(Phenylmethoxy)Phosphoryl]Amino]-N-[(2S)-3-(1H-Indol-3-Yl)-2-(Phenylmethylamino)Propanoyl]-3-Methylpentanamide
• Synonyms: (2S,3S)-2-[[(1,3-Dioxoisoindolin-2-Yl)Methyl-(Phenylmethoxy)Phosphoryl]Amino]-N-[(2S)-3-(1H-Indol-3-Yl)-2-(Phenylmethylamino)Propanoyl]-3-Methyl-Pentanamide; (2S,3S)-2-[[(1,3-Dioxo-2-Isoindolinyl)Methyl-(Phenylmethoxy)Phosphoryl]Amino]-N-[(2S)-3-(1H-Indol-3-Yl)-1-Oxo-2-(Phenylmethylamino)Propyl]-3-Methylpentanamide; (2S,3S)-N-[(2S)-2-(Benzylamino)-3-(1H-Indol-3-Yl)Propanoyl]-2-[[Benzyloxy-[(1,3-Diketoisoindolin-2-Yl)Methyl]Phosphoryl]Amino]-3-Methyl-Valeramide
• Molecular Formula: C₄₀H₄₂N₅O₆P
• Molecular Weight: 719.78
• CAS Registry Number: 125009-80-5
• SMILES: [C@H](C(=O)NC([C@@H](N[P](=O)(OCC1=CC=CC=C1)CN2C(C3=C(C2=O)C=CC=C3)=O)[C@H](CC)C)=O)(NCC4=CC=CC=C4)CC5=C[NH]C6=CC=CC=C56
• InChI: 1S/C40H42N5O6P/c1-3-27(2)36(44-52(50,51-25-29-16-8-5-9-17-29)26-45-39(48)32-19-10-11-20-33(32)40(45)49)38(47)43-37(46)35(41-23-28-14-6-4-7-15-28)22-30-24-42-34-21-13-12-18-31(30)34/h4-21,24,27,35-36,41-42H,3,22-23,25-26H2,1-2H3,(H,44,50)(H,43,46,47)/t27-,35-,36-,52?/m0/s1
• InChIKey: ZGCBYAKELITSTA-NHQNABIISA-N

Properties

• Density: 1.304g/cm³ (Cal.)