(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(3H-imidazol-4-yl)propanoyl]-3-hydroxy-butanamide
[CAS# 122548-04-3]

Identification

• Name: (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(3H-imidazol-4-yl)propanoyl]-3-hydroxy-butanamide
• Synonyms: (2S,3R)-2-Amino-N-[(2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoyl]-N-[(2S)-2-[[(Z)-2-(6-Bromo-1H-Indol-3-Yl)Vinyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]-3-Hydroxy-Butanamide; (2S,3R)-2-Amino-N-[(2S)-2-Amino-3-(3,4-Dihydroxyphenyl)-1-Oxopropyl]-N-[(2S)-2-[[(Z)-2-(6-Bromo-1H-Indol-3-Yl)Vinyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-3-Hydroxybutanamide; (2S,3R)-2-Amino-N-[(2S)-2-Amino-3-(3,4-Dihydroxyphenyl)Propanoyl]-N-[(2S)-2-[[(Z)-2-(6-Bromo-1H-Indol-3-Yl)Vinyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]-3-Hydroxy-Butyramide
• Molecular Formula: C₂₉H₃₂BrN₇O₆
• Molecular Weight: 654.52
• CAS Registry Number: 122548-04-3
• SMILES: [C@@H](N\C=C/C1=C[NH]C2=C1C=CC(=C2)Br)(C(=O)N(C(=O)[C@@H](N)CC3=CC(=C(O)C=C3)O)C(=O)[C@@H](N)[C@H](O)C)CC4=CN=C[NH]4
• InChI: 1S/C29H32BrN7O6/c1-15(38)26(32)29(43)37(27(41)21(31)8-16-2-5-24(39)25(40)9-16)28(42)23(11-19-13-33-14-36-19)34-7-6-17-12-35-22-10-18(30)3-4-20(17)22/h2-7,9-10,12-15,21,23,26,34-35,38-40H,8,11,31-32H2,1H3,(H,33,36)/b7-6-/t15-,21+,23+,26+/m1/s1
• InChIKey: AOYPXEUCIFBDES-IKEBQYQCSA-N

Properties

• Density: 1.592g/cm³ (Cal.)
• Boiling point: 1012.91°C at 760 mmHg (Cal.)
• Flash point: 566.388°C (Cal.)