(2S)-N-[(1S)-3-carbamoyl-1-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1R)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propyl]-2-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular Formula:
C58H74N14O10S
InChI: InChI=1/C58H74N14O10S/c1-31(2)50(58(82)71-46(26-33-29-64-39-15-8-5-12-36(33)39)56(80)70-45(55(79)66-41(51(61)75)22-24-83-3)25-32-28-63-38-14-7-4-11-35(32)38)72-57(81)47(27-34-30-65-40-16-9-6-13-37(34)40)69-54(78)44(19-21-49(60)74)68-53(77)43(18-20-48(59)73)67-52(76)42-17-10-23-62-42/h4-9,11-16,28-31,41-47,50,62-65H,10,17-27H2,1-3H3,(H2,59,73)(H2,60,74)(H2,61,75)(H,66,79)(H,67,76)(H,68,77)(H,69,78)(H,70,80)(H,71,82)(H,72,81)/t41-,42+,43-,44-,45+,46+,47+,50-/m0/s1/f/h66-72H,59-61H2
InChIKey: InChIKey=BRNJDUSQUDIUSH-GYWVGIENDN
SMILES: CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C7CCCN7
Names:
(2S)-N-[(1S)-3-carbamoyl-1-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1R)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propyl]-2-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanediamide
Registries:
PubChem CID 174596
PubChem ID 10258086
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