Perhydroantamanide
[CAS# 33906-64-8]

Identification

• Name: Perhydroantamanide
• Synonyms: (2S)-2-Amino-N-[(1S)-1-[(2S)-2-[(2S)-2,3-Bis[(2S)-2-Amino-3-Cyclohexyl-Propanoyl]-3-[(2S)-1-[(2S)-1-[(2S)-2-Amino-3-Cyclohexyl-Propanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]-4-[(2S)-2-Aminopropanoyl]-2-Formyl-Pyrrolidine-1-Carbonyl]2,3-Dihydropyrrole-1-Carbonyl]-2-Methyl-Propyl]-3-Cyclohexyl-Propanamide; (2S)-2-Amino-N-[(1S)-1-[[(2S)-2-[[(2S)-2,3-Bis[(2S)-2-Amino-3-Cyclohexyl-1-Oxopropyl]-3-[[(2S)-1-[[(2S)-1-[(2S)-2-Amino-3-Cyclohexyl-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]-4-[(2S)-2-Amino-1-Oxopropyl]-2-Formyl-1-Pyrrolidinyl]-Oxomethyl]-2,3-Dihydropyrrol-1-Yl]-Oxomethyl]-2-Methylpropyl]-3-Cyclohexylpropanamide; (2S)-N-[(1S)-1-[(2S)-2-[(2S)-4-Alanyl-2,3-Bis[(2S)-2-Amino-3-Cyclohexyl-Propanoyl]-3-[(2S)-1-[(2S)-1-[(2S)-2-Amino-3-Cyclohexyl-Propanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]-2-Formyl-Pyrrolidine-1-Carbonyl]2-Pyrroline-1-Carbonyl]-2-Methyl-Propyl]-2-Amino-3-Cyclohexyl-Propionamide
• Molecular Formula: C₆₄H₁₀₂N₁₀O₁₀
• Molecular Weight: 1171.57
• CAS Registry Number: 33906-64-8 (37211-10-2)
• SMILES: [C@@]1(C=O)(N(CC(C1(C([C@H]2N(CCC2)C([C@H]3N(CCC3)C([C@@H](N)CC4CCCCC4)=O)=O)=O)C([C@@H](N)CC5CCCCC5)=O)C([C@@H](N)C)=O)C([C@H]6N(C=CC6)C([C@@H](NC([C@@H](N)CC7CCCCC7)=O)C(C)C)=O)=O)C([C@@H](N)CC8CCCCC8)=O
• InChI: 1S/C64H102N10O10/c1-39(2)53(70-58(80)48(68)35-43-23-12-6-13-24-43)62(84)73-32-18-29-52(73)61(83)74-37-45(54(76)40(3)65)64(56(78)47(67)34-42-21-10-5-11-22-42,63(74,38-75)55(77)46(66)33-41-19-8-4-9-20-41)57(79)50-27-16-30-71(50)60(82)51-28-17-31-72(51)59(81)49(69)36-44-25-14-7-15-26-44/h18,32,38-53H,4-17,19-31,33-37,65-69H2,1-3H3,(H,70,80)/t40-,45?,46-,47-,48-,49-,50-,51-,52-,53-,63-,64?/m0/s1
• InChIKey: YDTHTYVRSKJGOT-KICGRLMCSA-N

Properties

• Density: 1.226g/cm³ (Cal.)
• Boiling point: 1230.04°C at 760 mmHg (Cal.)
• Flash point: 697.703°C (Cal.)