(phenylmethyl) (2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2R)-2-[[(1S)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxo-1-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-1-[[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[(1S)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-methyl-valeric acid benzyl ester Formula: C37H46N4O4 MolecularWeight: 610.78554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(CC(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N[C@H](CC(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H46N4O4/c1-25(2)19-32(35(42)39-22-27-13-7-5-8-14-27)41-36(43)33(21-29-23-38-31-18-12-11-17-30(29)31)40-34(20-26(3)4)37(44)45-24-28-15-9-6-10-16-28/h5-18,23,25-26,32-34,38,40H,19-22,24H2,1-4H3,(H,39,42)(H,41,43)/t32-,33-,34+/m0/s1