(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfinyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfinyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfinyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-2-[[(2S)-1-oxo-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]-3-phenylpropyl]amino]propyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylsulfinylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfinylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfinylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-prolyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfinyl-butyric acid Formula: C55H75N9O11S2 MolecularWeight: 1102.3677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCS(=O)C)C(=O)O)NC(=O)C(CCS(=O)C)NC(=O)C(C(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)C)C(=O)O)NC(=O)[C@H](CCS(=O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5

InChI

InChI=1S/C55H75N9O11S2/c1-33(2)28-43(50(67)59-42(55(72)73)24-27-77(6)75)60-49(66)41(23-26-76(5)74)58-54(71)47(34(3)4)64-53(70)46(31-37-32-57-39-21-14-13-20-38(37)39)63-52(69)45(30-36-18-11-8-12-19-36)62-51(68)44(29-35-16-9-7-10-17-35)61-48(65)40-22-15-25-56-40/h7-14,16-21,32-34,40-47,56-57H,15,22-31H2,1-6H3,(H,58,71)(H,59,67)(H,60,66)(H,61,65)(H,62,68)(H,63,69)(H,64,70)(H,72,73)/t40-,41-,42-,43-,44-,45-,46-,47-,76?,77?/m0/s1