N-acetyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-N-ethyl-L-Leucinamide
[CAS# 122001-05-2]

Identification

• Name: N-acetyl-L-histidyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-N-ethyl-L-Leucinamide
• Synonyms: (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]-2-Ethylamino-4-Methyl-Pentanamide; (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxoethyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Ethylamino-4-Methylpentanamide; (2S)-N-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]-2-Ethylamino-4-Methyl-Valeramide
• Molecular Formula: C₄₃H₆₁N₁₃O₈
• Molecular Weight: 888.04
• CAS Registry Number: 122001-05-2
• SMILES: [C@H](NCC)(CC(C)C)C(=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC1=CN=C[NH]1)CC2=C[NH]C3=CC=CC=C23)C)C(C)C)CC4=CN=C[NH]4
• InChI: 1S/C43H61N13O8/c1-8-46-32(13-23(2)3)39(60)56-42(63)35(16-29-19-45-22-50-29)53-36(58)20-48-43(64)37(24(4)5)55-38(59)25(6)51-40(61)33(14-27-17-47-31-12-10-9-11-30(27)31)54-41(62)34(52-26(7)57)15-28-18-44-21-49-28/h9-12,17-19,21-25,32-35,37,46-47H,8,13-16,20H2,1-7H3,(H,44,49)(H,45,50)(H,48,64)(H,51,61)(H,52,57)(H,53,58)(H,54,62)(H,55,59)(H,56,60,63)/t25-,32-,33-,34-,35-,37-/m0/s1
• InChIKey: XBNURIXAUURNDW-QQOSZXOGSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 1389.604°C at 760 mmHg (Cal.)
• Flash point: 794.204°C (Cal.)