(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]-N-[(1S)-1-[[(1S)-1-[[2-[(2S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]pyrrolidine-2-carboxamide
Molecular Formula:
C68H114N14O14
InChI: InChI=1/C68H114N14O14/c1-16-42(14)55(69)67(95)79-56(41(12)13)68(96)82-27-21-25-52(82)66(94)78-50(33-44-22-18-17-19-23-44)63(91)75-46(29-37(4)5)60(88)72-35-54(85)81-26-20-24-51(81)65(93)77-48(31-39(8)9)62(90)74-45(28-36(2)3)59(87)71-34-53(84)73-47(30-38(6)7)61(89)76-49(32-40(10)11)64(92)80-57(43(15)83)58(70)86/h17-19,22-23,36-43,45-52,55-57,83H,16,20-21,24-35,69H2,1-15H3,(H2,70,86)(H,71,87)(H,72,88)(H,73,84)(H,74,90)(H,75,91)(H,76,89)(H,77,93)(H,78,94)(H,79,95)(H,80,92)/t42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1/f/h71-80H,70H2
InChIKey: InChIKey=HKVLHTFAJKJVJE-FIUOZTQNDO
SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NCC(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)N)N
Names:
(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]-N-[(1S)-1-[[(1S)-1-[[2-[(2S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]pyrrolidine-2-carboxamide
Registries:
PubChem CID 126158
PubChem ID 10241504
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