(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Molecular Formula: C46H57N9O10S


InChI: InChI=1/C46H57N9O10S/c1-25(2)40(55-39(57)22-47)45(62)50-26(3)41(58)52-36(20-28-23-48-33-11-7-5-9-31(28)33)44(61)53-37(21-29-24-49-34-12-8-6-10-32(29)34)43(60)51-35(17-18-66(4)65)42(59)54-38(46(63)64)19-27-13-15-30(56)16-14-27/h5-16,23-26,35-38,40,48-49,56H,17-22,47H2,1-4H3,(H,50,62)(H,51,60)(H,52,58)(H,53,61)(H,54,59)(H,55,57)(H,63,64)/t26-,35-,36-,37-,38-,40-,66u/m0/s1/f/h50-55,63H

InChIKey: InChIKey=RZBKCFUZUKJPJL-VCJJIFMTDM
SMILES: CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCS(=O)C)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O)NC(=O)CN

Names:
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Registries:
    PubChem CID 10418355
    PubChem ID 15436027