(3S)-3-amino-3-[[(1S)-1-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1R)-1-[[(1S)-5-amino-1-carbamoyl-pentyl]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]-2-(4-hydroxyphenyl)ethyl]carbamoyl]propanoic acid
Molecular Formula:
C57H68N12O10
InChI: InChI=1/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)/t40-,44-,45-,46+,47+,48+,50-/m0/s1/f/h64-69,71H,60H2
InChIKey: InChIKey=QQHOFZNACVKNHK-GLRAVHTKDK
SMILES: CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CC(=O)O)N
Names:
(3S)-3-amino-3-[[(1S)-1-[[(1R)-1-[[(1S)-1-[[(1R)-1-[[(1R)-1-[[(1S)-5-amino-1-carbamoyl-pentyl]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]-2-(4-hydroxyphenyl)ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 124003
PubChem ID 10240948
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