N²-{[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}-N⁵-(diaminomethylene)-L-ornithyl-N-[(2R)-1-oxo-3-phenyl-2-propanyl]-L-valinamide
[CAS# 83830-01-7]

Identification

• Name: N²-{[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}-N⁵-(diaminomethylene)-L-ornithyl-N-[(2R)-1-oxo-3-phenyl-2-propanyl]-L-valinamide
• Synonyms: Phe-CO-Arg-Val-D-Phe-H; β-MAPI; β-MAPI
• Molecular Formula: C₃₀H₄₁N₇O₆
• Molecular Weight: 595.69
• CAS Registry Number: 83830-01-7
• SMILES: O=C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC/N=C(\N)N)C(C)C)Cc2ccccc2
• InChI: 1S/C30H41N7O6/c1-19(2)25(27(40)34-22(18-38)16-20-10-5-3-6-11-20)37-26(39)23(14-9-15-33-29(31)32)35-30(43)36-24(28(41)42)17-21-12-7-4-8-13-21/h3-8,10-13,18-19,22-25H,9,14-17H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,31,32,33)(H2,35,36,43)/t22-,23+,24+,25+/m1/s1
• InChIKey: SABSBIPNNYDZRS-ROHNOIKCSA-N

Properties

• Density: 1.305g/cm³ (Cal.)