(2R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-sulfanylpropanoylamino)hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(2-sulfanylpropanoylamino)hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-(1,3-dioxoisoindolin-2-yl)-2-(2-sulfanylpropanoylamino)hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-(1,3-dioxo-2-isoindolyl)-2-[(2-mercapto-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-(1,3-dioxoisoindol-2-yl)-2-(2-sulfanylpropanoylamino)hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(2-mercaptopropanoylamino)-6-phthalimido-hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C44H51N7O9S2 MolecularWeight: 886.04724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(C(=O)O)C(C)(C)S)S

Isomeric SMILES

CC(C(=O)N[C@@H](CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@H](C(=O)O)C(C)(C)S)S

InChI

InChI=1S/C44H51N7O9S2/c1-25(61)37(53)48-32(19-11-12-20-51-41(57)29-16-7-8-17-30(29)42(51)58)38(54)46-24-35(52)47-34(22-27-23-45-31-18-10-9-15-28(27)31)39(55)49-33(21-26-13-5-4-6-14-26)40(56)50-36(43(59)60)44(2,3)62/h4-10,13-18,23,25,32-34,36,45,61-62H,11-12,19-22,24H2,1-3H3,(H,46,54)(H,47,52)(H,48,53)(H,49,55)(H,50,56)(H,59,60)/t25?,32-,33-,34-,36+/m0/s1