Folligen
[CAS# 103631-79-4]

Identification

• Name: Folligen
• Synonyms: N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-4-Amino-1-[(2S)-2-(Ethylcarbamoyl)Pyrrolidine-1-Carbonyl]-4-Oxo-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[[(1S)-4-Amino-1-[[(2S)-2-(Ethylcarbamoyl)-1-Pyrrolidinyl]-Oxomethyl]-4-Oxobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-4-Amino-1-[(2S)-2-(Ethylcarbamoyl)Pyrrolidine-1-Carbonyl]-4-Keto-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₆₁H₇₈N₁₄O₁₃
• Molecular Weight: 1215.37
• CAS Registry Number: 103631-79-4
• SMILES: [C@@H]1(N(CCC1)C([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=C[NH]C3=C2C=CC=C3)NC([C@@H](NC(C4NC(CC4)=O)=O)CC5=CN=C[NH]5)=O)=O)CO)=O)CC6=CC=C(C=C6)O)=O)CC7=CC=CC=C7)=O)CC(C)C)=O)CCC(N)=O)=O)C(=O)NCC
• InChI: 1S/C61H78N14O13/c1-4-64-60(87)50-15-10-24-75(50)61(88)43(20-22-51(62)78)68-54(81)44(25-34(2)3)69-55(82)45(26-35-11-6-5-7-12-35)70-56(83)46(27-36-16-18-39(77)19-17-36)71-59(86)49(32-76)74-57(84)47(28-37-30-65-41-14-9-8-13-40(37)41)72-58(85)48(29-38-31-63-33-66-38)73-53(80)42-21-23-52(79)67-42/h5-9,11-14,16-19,30-31,33-34,42-50,65,76-77H,4,10,15,20-29,32H2,1-3H3,(H2,62,78)(H,63,66)(H,64,87)(H,67,79)(H,68,81)(H,69,82)(H,70,83)(H,71,86)(H,72,85)(H,73,80)(H,74,84)/t42?,43-,44-,45+,46-,47-,48-,49-,50-/m0/s1
• InChIKey: FVGGCEANXXPWAJ-YXIHLITBSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 1735.095°C at 760 mmHg (Cal.)
• Flash point: 1003.149°C (Cal.)