(2S)-N-[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(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]pentyl]carbamoylmethylcarbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide
Molecular Formula:
C69H119N15O14
InChI: InChI=1/C69H119N15O14/c1-16-43(14)56(71)68(97)82-57(42(12)13)69(98)84-28-22-26-53(84)67(96)81-52(34-45-23-18-17-19-24-45)65(94)78-48(30-38(4)5)61(90)73-35-54(86)75-46(25-20-21-27-70)62(91)79-50(32-40(8)9)64(93)77-47(29-37(2)3)60(89)74-36-55(87)76-49(31-39(6)7)63(92)80-51(33-41(10)11)66(95)83-58(44(15)85)59(72)88/h17-19,23-24,37-44,46-53,56-58,85H,16,20-22,25-36,70-71H2,1-15H3,(H2,72,88)(H,73,90)(H,74,89)(H,75,86)(H,76,87)(H,77,93)(H,78,94)(H,79,91)(H,80,92)(H,81,96)(H,82,97)(H,83,95)/t43-,44+,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-/m0/s1/f/h73-83H,72H2
InChIKey: InChIKey=ZYWSYGCTLVIXKJ-CSHUKMNNDT
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)NC(CCCCN)C(=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)-N-[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(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]pentyl]carbamoylmethylcarbamoyl]-3-methyl-butyl]carbamoyl]-2-phenyl-ethyl]-1-[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide
Registries:
PubChem CID 194788
PubChem ID 10261970
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