tert-butyl (2R)-4-[5,7-bis(oxidanylidene)-[1,3]dioxolo[4,5-f]isoindol-6-yl]-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]butanoate

Systemtic Name: tert-butyl (2R)-4-[5,7-bis(oxidanylidene)-[1,3]dioxolo[4,5-f]isoindol-6-yl]-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]butanoate Openeye Name: tert-butyl (2R)-2-[[(1S)-1-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-(5,7-dioxo-[1,3]dioxolo[4,5-f]isoindol-6-yl)butanoate CAS Name: (2R)-4-(5,7-dioxo-[1,3]dioxolo[4,5-f]isoindol-6-yl)-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-(5,7-dioxo-[1,3]dioxolo[4,5-f]isoindol-6-yl)-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]butanoate Traditional Name: (2R)-2-[[(1S)-1-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-methyl-butyl]amino]-4-(5,7-diketo-[1,3]dioxol[4,5-f]isoindol-6-yl)butyric acid tert-butyl ester Formula: C33H42N4O8 MolecularWeight: 622.70858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(CCN2C(=O)C3=CC4=C(C=C3C2=O)OCO4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC)N[C@H](CCN2C(=O)C3=CC4=C(C=C3C2=O)OCO4)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H42N4O8/c1-19(2)14-24(29(39)36-25(28(38)34-6)15-20-10-8-7-9-11-20)35-23(32(42)45-33(3,4)5)12-13-37-30(40)21-16-26-27(44-18-43-26)17-22(21)31(37)41/h7-11,16-17,19,23-25,35H,12-15,18H2,1-6H3,(H,34,38)(H,36,39)/t23-,24+,25+/m1/s1