S-[2-oxidanylidene-3-[3-[4-[3-[(7-oxidanylidene-3,8-dihydro-2H-benzo[f][1]benzofuran-9-yl)oxyamino]propylamino]butylamino]propylamino]propyl] 2-[2-(2-azanylethanoylamino)ethanoylamino]ethanethioate

Systemtic Name: S-[2-oxidanylidene-3-[3-[4-[3-[(7-oxidanylidene-3,8-dihydro-2H-benzo[f][1]benzofuran-9-yl)oxyamino]propylamino]butylamino]propylamino]propyl] 2-[2-(2-azanylethanoylamino)ethanoylamino]ethanethioate Openeye Name: S-[2-oxo-3-[3-[4-[3-[(7-oxo-3,8-dihydro-2H-benzo[f]benzofuran-9-yl)oxyamino]propylamino]butylamino]propylamino]propyl] 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethanethioate CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]ethanethioic acid S-[2-oxo-3-[3-[4-[3-[(7-oxo-3,8-dihydro-2H-benzo[f]benzofuran-9-yl)oxyamino]propylamino]butylamino]propylamino]propyl] ester IUPAC Name: S-[2-oxo-3-[3-[4-[3-[(7-oxo-3,8-dihydro-2H-benzo[f][1]benzofuran-9-yl)oxyamino]propylamino]butylamino]propylamino]propyl] 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethanethioate Traditional Name: 2-[[2-(glycylamino)acetyl]amino]ethanethioic acid S-[2-keto-3-[3-[4-[3-[(7-keto-3,8-dihydro-2H-benzo[f]benzofuran-9-yl)oxyamino]propylamino]butylamino]propylamino]propyl] ester Formula: C31H47N7O7S MolecularWeight: 661.81258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C3C=CC(=O)CC3=C2ONCCCNCCCCNCCCNCC(=O)CSC(=O)CNC(=O)CNC(=O)CN

Isomeric SMILES

C1COC2=C1C=C3C=CC(=O)CC3=C2ONCCCNCCCCNCCCNCC(=O)CSC(=O)CNC(=O)CNC(=O)CN

InChI

InChI=1S/C31H47N7O7S/c32-17-27(41)36-19-28(42)37-20-29(43)46-21-25(40)18-35-12-3-10-33-8-1-2-9-34-11-4-13-38-45-31-26-16-24(39)6-5-22(26)15-23-7-14-44-30(23)31/h5-6,15,33-35,38H,1-4,7-14,16-21,32H2,(H,36,41)(H,37,42)