tert-butyl N-[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[(4-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[(4-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-(4-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-(4-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-(4-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Traditional Name: N-[(1S)-3-amino-1-[[(1S)-1-[[(1S)-2-(4-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C33H41N7O6 MolecularWeight: 631.72194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C#N)NC(=O)C(CC(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C#N)NC(=O)[C@H](CC(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H41N7O6/c1-19(2)14-25(38-31(44)27(16-28(35)41)40-32(45)46-33(3,4)5)30(43)39-26(15-21-18-36-24-9-7-6-8-23(21)24)29(42)37-22-12-10-20(17-34)11-13-22/h6-13,18-19,25-27,36H,14-16H2,1-5H3,(H2,35,41)(H,37,42)(H,38,44)(H,39,43)(H,40,45)/t25-,26-,27-/m0/s1