tert-butyl (2R)-4-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-2-[[(2S)-4-methyl-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methylamino]-1-oxidanylidene-pentan-2-yl]amino]butanoate

Systemtic Name: tert-butyl (2R)-4-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-2-[[(2S)-4-methyl-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methylamino]-1-oxidanylidene-pentan-2-yl]amino]butanoate Openeye Name: tert-butyl (2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(1S)-3-methyl-1-[(2-methyltetrazol-5-yl)methylcarbamoyl]butyl]amino]butanoate CAS Name: (2R)-4-(1,3-dioxo-2-benzo[f]isoindolyl)-2-[[(2S)-4-methyl-1-[(2-methyl-5-tetrazolyl)methylamino]-1-oxopentan-2-yl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-4-methyl-1-[(2-methyltetrazol-5-yl)methylamino]-1-oxopentan-2-yl]amino]butanoate Traditional Name: (2R)-4-(1,3-diketobenz[f]isoindol-2-yl)-2-[[(1S)-3-methyl-1-[(2-methyltetrazol-5-yl)methylcarbamoyl]butyl]amino]butyric acid tert-butyl ester Formula: C29H37N7O5 MolecularWeight: 563.64798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=NN(N=N1)C)NC(CCN2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=NN(N=N1)C)N[C@H](CCN2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N7O5/c1-17(2)13-23(25(37)30-16-24-32-34-35(6)33-24)31-22(28(40)41-29(3,4)5)11-12-36-26(38)20-14-18-9-7-8-10-19(18)15-21(20)27(36)39/h7-10,14-15,17,22-23,31H,11-13,16H2,1-6H3,(H,30,37)/t22-,23+/m1/s1