[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methyl (2S)-2-[[(2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: [1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methyl (2S)-2-[[(2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: (1,1-dioxobenzothiophen-2-yl)methyl (2S)-2-[[(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid (1,1-dioxo-1-benzothiophen-2-yl)methyl ester IUPAC Name: (1,1-dioxo-1-benzothiophen-2-yl)methyl (2S)-2-[[(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid (1,1-diketobenzothiophen-2-yl)methyl ester Formula: C41H41N3O8S MolecularWeight: 735.84454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C41H41N3O8S/c1-26(2)20-36(40(47)51-24-29-22-28-14-6-11-19-37(28)53(29,49)50)44-39(46)35(21-27-12-4-3-5-13-27)43-38(45)23-42-41(48)52-25-34-32-17-9-7-15-30(32)31-16-8-10-18-33(31)34/h3-19,22,26,34-36H,20-21,23-25H2,1-2H3,(H,42,48)(H,43,45)(H,44,46)/t35-,36-/m0/s1