N-[1-Carboxy-5-[[[4-[2-Hydroxy-3-[(1-Methylethyl)Amino]Propoxy]-1H-Indol-2-Yl]Carbonyl]Amino]Pentyl]Alanyl-L-Proline
[CAS# 103221-88-1]

Identification

• Name: N-[1-Carboxy-5-[[[4-[2-Hydroxy-3-[(1-Methylethyl)Amino]Propoxy]-1H-Indol-2-Yl]Carbonyl]Amino]Pentyl]Alanyl-L-Proline
• Synonyms: (2S)-1-[2-[[1-Carboxy-5-[[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]1H-Indole-2-Carbonyl]Amino]Pentyl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[2-[[1-Carboxy-5-[[[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]-1H-Indol-2-Yl]-Oxomethyl]Amino]Pentyl]Amino]-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[2-[[1-Carboxy-5-[[4-[2-Hydroxy-3-(Isopropylamino)Propoxy]1H-Indole-2-Carbonyl]Amino]Pentyl]Amino]Propanoyl]Proline
• Molecular Formula: C₂₉H₄₃N₅O₈
• Molecular Weight: 589.69
• CAS Registry Number: 103221-88-1
• SMILES: [C@H]1(C(=O)O)N(CCC1)C(C(NC(CCCCNC(=O)C2=CC3=C([NH]2)C=CC=C3OCC(CNC(C)C)O)C(=O)O)C)=O
• InChI: 1S/C29H43N5O8/c1-17(2)31-15-19(35)16-42-25-11-6-9-21-20(25)14-23(33-21)26(36)30-12-5-4-8-22(28(38)39)32-18(3)27(37)34-13-7-10-24(34)29(40)41/h6,9,11,14,17-19,22,24,31-33,35H,4-5,7-8,10,12-13,15-16H2,1-3H3,(H,30,36)(H,38,39)(H,40,41)/t18?,19?,22?,24-/m0/s1
• InChIKey: XCLLRLKRCYZTES-PBKHYBTFSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 936.087°C at 760 mmHg (Cal.)
• Flash point: 519.927°C (Cal.)