N-[(Hexahydro-1H-Azepin-1-Yl)Carbonyl]-L-Leucyl-1-Formyl-D-Tryptophyl-D-Tryptophan
[CAS# 141595-53-1]

Identification

• Name: N-[(Hexahydro-1H-Azepin-1-Yl)Carbonyl]-L-Leucyl-1-Formyl-D-Tryptophyl-D-Tryptophan
• Synonyms: (2R)-2-[[(2R)-2-[[(2S)-2-(Azepane-1-Carbonylamino)-4-Methyl-Pentanoyl]Amino]-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid; (2R)-2-[[(2R)-2-[[(2S)-2-[(1-Azepanyl-Oxomethyl)Amino]-4-Methyl-1-Oxopentyl]Amino]-3-(1-Formyl-3-Indolyl)-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid; (2R)-2-[[(2R)-2-[[(2S)-2-(Azepane-1-Carbonylamino)-4-Methyl-Pentanoyl]Amino]-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propionic Acid
• Molecular Formula: C₃₆H₄₄N₆O₆
• Molecular Weight: 656.78
• CAS Registry Number: 141595-53-1
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)N1CCCCCC1)CC(C)C)(CC2=C[N](C3=C2C=CC=C3)C=O)C(=O)N[C@H](CC4=C[NH]C5=C4C=CC=C5)C(=O)O
• InChI: 1S/C36H44N6O6/c1-23(2)17-29(40-36(48)41-15-9-3-4-10-16-41)33(44)38-30(19-25-21-42(22-43)32-14-8-6-12-27(25)32)34(45)39-31(35(46)47)18-24-20-37-28-13-7-5-11-26(24)28/h5-8,11-14,20-23,29-31,37H,3-4,9-10,15-19H2,1-2H3,(H,38,44)(H,39,45)(H,40,48)(H,46,47)/t29-,30+,31+/m0/s1
• InChIKey: QHSRPPJQBFQWSC-OJDZSJEKSA-N

Properties

• Density: 1.339g/cm³ (Cal.)