(2S)-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-carbamoyl-2-[[(2S)-3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]butanediamide
Molecular Formula:
C46H60N12O12
InChI: InChI=1/C46H60N12O12/c1-23(2)38(57-40(64)28-14-15-37(62)51-28)45(69)55-32(20-36(48)61)43(67)53-30(17-24-9-4-3-5-10-24)41(65)56-33(22-59)46(70)58-16-8-13-34(58)44(68)54-31(19-35(47)60)42(66)52-29(39(49)63)18-25-21-50-27-12-7-6-11-26(25)27/h3-7,9-12,21,23,28-34,38,50,59H,8,13-20,22H2,1-2H3,(H2,47,60)(H2,48,61)(H2,49,63)(H,51,62)(H,52,66)(H,53,67)(H,54,68)(H,55,69)(H,56,65)(H,57,64)/t28-,29-,30-,31-,32-,33-,34-,38-/m0/s1/f/h51-57H,47-49H2
InChIKey: InChIKey=KPWMFAZVGQWJCD-XHDDFBRGDX
SMILES: CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C5CCC(=O)N5
Names:
(2S)-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-carbamoyl-2-[[(2S)-3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]butanediamide
Registries:
PubChem CID 125015
PubChem ID 10241236
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|