(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-(propan-2-ylcarbamoylmethyl)pyrrolidine-2-carboxamide
Molecular Formula:
C42H54N8O9
InChI: InChI=1/C42H54N8O9/c1-25(2)46-36(53)23-45-41(58)35-10-7-19-50(35)42(59)34(22-29-13-17-31(52)18-14-29)48-37(54)24-44-40(57)33(21-27-8-5-4-6-9-27)49-38(55)26(3)47-39(56)32(43)20-28-11-15-30(51)16-12-28/h4-6,8-9,11-18,25-26,32-35,51-52H,7,10,19-24,43H2,1-3H3,(H,44,57)(H,45,58)(H,46,53)(H,47,56)(H,48,54)(H,49,55)/t26-,32+,33+,34+,35+/m1/s1/f/h44-49H
InChIKey: InChIKey=IVQQQKPLJOJAAX-HFHTXMONDK
SMILES: CC(C)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)N
Names:
(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-N-(propan-2-ylcarbamoylmethyl)pyrrolidine-2-carboxamide
Registries:
PubChem CID 10010639
PubChem ID 14990424
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