(phenylmethyl) 3-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-[[(1S)-1-[[(1S)-1-formyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[(1S)-1-[[(1S)-1-formyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H39N3O5/c1-20(2)14-25(18-34)31-28(35)26(15-21(3)4)32-29(36)27-16-23-12-8-9-13-24(23)17-33(27)30(37)38-19-22-10-6-5-7-11-22/h5-13,18,20-21,25-27H,14-17,19H2,1-4H3,(H,31,35)(H,32,36)/t25-,26-,27?/m0/s1