tert-butyl (4S)-5-[[(2S)-3-methyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-[(E)-4-oxidanylidene-4-(phenethylamino)but-2-enoyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(2S)-3-methyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-[(E)-4-oxidanylidene-4-(phenethylamino)but-2-enoyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[(2-tert-butoxy-2-oxo-ethyl)-[(E)-4-oxo-4-(phenethylamino)but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S)-1-[2-[(E)-1,4-dioxo-4-(phenethylamino)but-2-enyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(2S)-3-methyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-[(E)-4-oxo-4-(phenethylamino)but-2-enoyl]hydrazinyl]-1-oxobutan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-keto-butanoyl]amino]-5-[[(1S)-1-[[(2-tert-butoxy-2-keto-ethyl)-[(E)-4-keto-4-(phenethylamino)but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C48H68N6O13 MolecularWeight: 937.08592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CC(=O)OC(C)(C)C)C(=O)C=CC(=O)NCCC1=CC=CC=C1)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NN(CC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)NCCC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C48H68N6O13/c1-31(2)41(44(62)53-54(29-40(59)67-48(9,10)11)37(56)24-23-36(55)49-27-26-32-18-14-12-15-19-32)52-42(60)34(22-25-38(57)65-46(3,4)5)50-43(61)35(28-39(58)66-47(6,7)8)51-45(63)64-30-33-20-16-13-17-21-33/h12-21,23-24,31,34-35,41H,22,25-30H2,1-11H3,(H,49,55)(H,50,61)(H,51,63)(H,52,60)(H,53,62)/b24-23+/t34-,35-,41-/m0/s1