9H-fluoren-9-ylmethyl N-[(2S)-1-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-(hydroxymethyl)-2-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propylamino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-hydroxy-1-[3-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propylamino]-1-oxopropan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-3-hydroxy-1-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[3-[3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]propylamino]-2-keto-1-methylol-ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C42H37N5O6 MolecularWeight: 707.77308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNC(=O)C(CO)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNC(=O)[C@H](CO)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

InChI

InChI=1S/C42H37N5O6/c1-46-21-31(29-15-6-8-17-35(29)46)37-38(41(51)45-40(37)50)32-22-47(36-18-9-7-16-30(32)36)20-10-19-43-39(49)34(23-48)44-42(52)53-24-33-27-13-4-2-11-25(27)26-12-3-5-14-28(26)33/h2-9,11-18,21-22,33-34,48H,10,19-20,23-24H2,1H3,(H,43,49)(H,44,52)(H,45,50,51)/t34-/m0/s1