N-(2-methyl-1-oxopropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-N-methyl-L-Leucinamide
[CAS# 124001-41-8]

Identification

• Name: N-(2-methyl-1-oxopropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-N-methyl-L-Leucinamide
• Synonyms: (2S)-N-[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-(2-Methylpropanoylamino)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]Propanoyl]-4-Methyl-2-Methylamino-Pentanamide; (2S)-N-[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[(2-Methyl-1-Oxopropyl)Amino]-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]-4-Methyl-2-Methylaminopentanamide; (2S)-N-[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-(Isobutyrylamino)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]Propanoyl]-4-Methyl-2-Methylamino-Valeramide
• Molecular Formula: C₄₅H₆₅N₁₃O₈
• Molecular Weight: 916.09
• CAS Registry Number: 124001-41-8
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)CC1=CN=C[NH]1)CC2=C[NH]C3=CC=CC=C23)C)(C(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CC4=CN=C[NH]4)C(=O)NC(=O)[C@@H](NC)CC(C)C)C
• InChI: 1S/C45H65N13O8/c1-23(2)14-33(46-9)41(62)58-44(65)36(17-30-20-48-22-51-30)55-39(60)26(7)53-45(66)37(24(3)4)57-40(61)27(8)52-42(63)34(15-28-18-49-32-13-11-10-12-31(28)32)56-43(64)35(54-38(59)25(5)6)16-29-19-47-21-50-29/h10-13,18-27,33-37,46,49H,14-17H2,1-9H3,(H,47,50)(H,48,51)(H,52,63)(H,53,66)(H,54,59)(H,55,60)(H,56,64)(H,57,61)(H,58,62,65)/t26-,27+,33+,34+,35+,36+,37+/m1/s1
• InChIKey: MMMVZBYIVKTYLE-QHOQUQLNSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 1375.146°C at 760 mmHg (Cal.)
• Flash point: 785.46°C (Cal.)