1-(1-(N-(N2-(1-(N-(1-(N-(N2-(5-oxo-L-prolyl)-L-asparaginyl)-L-tryptophyl)-L-prolyl)-L-histidyl)-L-prolyl)-L-glutaminyl)-L-isoleucyl)-L-prolyl)-L-Proline
[CAS# 35115-62-9]

Identification

• Name: 1-(1-(N-(N2-(1-(N-(1-(N-(N2-(5-oxo-L-prolyl)-L-asparaginyl)-L-tryptophyl)-L-prolyl)-L-histidyl)-L-prolyl)-L-glutaminyl)-L-isoleucyl)-L-prolyl)-L-Proline
• Synonyms: (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-Amino-4-Oxo-2-[(5-Oxopyrrolidine-2-Carbonyl)Amino]Butanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxo-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-Amino-2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-4-Amino-1,4-Dioxo-2-[[Oxo-(5-Oxo-2-Pyrrolidinyl)Methyl]Amino]Butyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1,5-Dioxopentyl]Amino]-3-Methyl-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-Amino-4-Oxo-2-[(5-Oxopyrrolidin-2-Yl)Carbonylamino]Butanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]-5-Oxo-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Pyrrolidin-2-Yl]Carbonylpyrrolidine-2-Carboxylic Acid
• Molecular Formula: C₅₇H₇₇N₁₅O₁₄
• Molecular Weight: 1196.33
• CAS Registry Number: 35115-62-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(CCC2)C(=O)[C@@H](NC(=O)[C@H]3N(CCC3)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C4NC(=O)CC4)CC(=O)N)CC5=C[NH]C6=CC=CC=C56)CC7=CN=C[NH]7)CCC(=O)N)C(CC)C)C(=O)N8[C@@H](CCC8)C(O)=O
• InChI: 1S/C57H77N15O14/c1-3-30(2)47(56(84)71-22-8-14-42(71)55(83)72-23-9-15-43(72)57(85)86)68-49(77)36(16-18-44(58)73)64-51(79)40-12-6-21-70(40)54(82)39(25-32-28-60-29-62-32)67-52(80)41-13-7-20-69(41)53(81)38(24-31-27-61-34-11-5-4-10-33(31)34)66-50(78)37(26-45(59)74)65-48(76)35-17-19-46(75)63-35/h4-5,10-11,27-30,35-43,47,61H,3,6-9,12-26H2,1-2H3,(H2,58,73)(H2,59,74)(H,60,62)(H,63,75)(H,64,79)(H,65,76)(H,66,78)(H,67,80)(H,68,77)(H,85,86)/t30?,35?,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
• InChIKey: FCNFVZKCSNGFBQ-BKYZBJNHSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 1732.888°C at 760 mmHg (Cal.)
• Flash point: 1001.814°C (Cal.)