(2S)-N-[(2S)-1-[(4-bromophenyl)methyl-methyl-amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-(1H-indol-3-ylcarbonylamino)-N'-(2-morpholin-4-ylethyl)butanediamide

Systemtic Name: (2S)-N-[(2S)-1-[(4-bromophenyl)methyl-methyl-amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-(1H-indol-3-ylcarbonylamino)-N'-(2-morpholin-4-ylethyl)butanediamide Openeye Name: (2S)-N-[(1S)-2-[(4-bromophenyl)methyl-methyl-amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-2-(1H-indole-3-carbonylamino)-N'-(2-morpholinoethyl)butanediamide CAS Name: (2S)-N-[(2S)-1-[(4-bromophenyl)methyl-methylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-[[1H-indol-3-yl(oxo)methyl]amino]-N'-[2-(4-morpholinyl)ethyl]butanediamide IUPAC Name: (2S)-N-[(2S)-1-[(4-bromophenyl)methyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(1H-indole-3-carbonylamino)-N'-(2-morpholin-4-ylethyl)butanediamide Traditional Name: (2S)-N-[(1S)-2-[(4-bromobenzyl)-methyl-amino]-2-keto-1-(2-naphthylmethyl)ethyl]-2-(1H-indole-3-carbonylamino)-N'-(2-morpholinoethyl)succinamide Formula: C40H43BrN6O5 MolecularWeight: 767.71062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC(=O)NCCN4CCOCC4)NC(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC(=O)NCCN4CCOCC4)NC(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C40H43BrN6O5/c1-46(26-27-11-14-31(41)15-12-27)40(51)36(23-28-10-13-29-6-2-3-7-30(29)22-28)45-39(50)35(24-37(48)42-16-17-47-18-20-52-21-19-47)44-38(49)33-25-43-34-9-5-4-8-32(33)34/h2-15,22,25,35-36,43H,16-21,23-24,26H2,1H3,(H,42,48)(H,44,49)(H,45,50)/t35-,36-/m0/s1