N-[1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate

Systemtic Name: N-[1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate Openeye Name: N-[1-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-1-benzyl-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-[(2-methylthiazol-4-yl)methyl]carbamate CAS Name: N-[1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-2-[(tert-butylamino)-oxomethyl]-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-[(2-methyl-4-thiazolyl)methyl]carbamate IUPAC Name: N-[1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate Traditional Name: N-[1-[[1-benzyl-3-[2-(tert-butylcarbamoyl)-4-piperonyl-piperazino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]-N-[(2-methylthiazol-4-yl)methyl]carbamate Formula: C38H51N6O7S- MolecularWeight: 735.91254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN(C(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3C(=O)NC(C)(C)C)CC4=CC5=C(C=C4)OCO5)O)C(=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CN(C(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3C(=O)NC(C)(C)C)CC4=CC5=C(C=C4)OCO5)O)C(=O)[O-]

InChI

InChI=1S/C38H52N6O7S/c1-24(2)34(44(37(48)49)19-28-22-52-25(3)39-28)36(47)40-29(16-26-10-8-7-9-11-26)31(45)21-43-15-14-42(20-30(43)35(46)41-38(4,5)6)18-27-12-13-32-33(17-27)51-23-50-32/h7-13,17,22,24,29-31,34,45H,14-16,18-21,23H2,1-6H3,(H,40,47)(H,41,46)(H,48,49)/p-1