(2S)-N-[(1S)-3-carbamoyl-1-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propyl]-2-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular Formula:
C57H75N13O10S
InChI: InChI=1/C57H75N13O10S/c1-32(2)26-44(54(77)64-40(50(60)73)23-25-81-3)67-56(79)47(29-35-31-63-39-17-10-8-15-37(35)39)70-55(78)45(27-33-12-5-4-6-13-33)68-57(80)46(28-34-30-62-38-16-9-7-14-36(34)38)69-53(76)43(20-22-49(59)72)66-52(75)42(19-21-48(58)71)65-51(74)41-18-11-24-61-41/h4-10,12-17,30-32,40-47,61-63H,11,18-29H2,1-3H3,(H2,58,71)(H2,59,72)(H2,60,73)(H,64,77)(H,65,74)(H,66,75)(H,67,79)(H,68,80)(H,69,76)(H,70,78)/t40-,41+,42-,43-,44-,45-,46+,47+/m0/s1/f/h64-70H,58-60H2
InChIKey: InChIKey=HYFDLZDVAMNRAV-FIEGWTFXDE
SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6
Names:
(2S)-N-[(1S)-3-carbamoyl-1-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propyl]-2-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanediamide
Registries:
PubChem CID 133592
PubChem ID 10243405
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