tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-3-[(4-hydroxyphenyl)methylcarbamoylamino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-3-[(4-hydroxyphenyl)methylcarbamoylamino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-3-[(4-hydroxyphenyl)methylcarbamoylamino]-4-oxo-butanoate CAS Name: (3S)-4-[3-cyclohexylpropyl(methyl)amino]-3-[[[(4-hydroxyphenyl)methylamino]-oxomethyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-3-[(4-hydroxyphenyl)methylcarbamoylamino]-4-oxobutanoate Traditional Name: (3S)-4-[3-cyclohexylpropyl(methyl)amino]-3-[(4-hydroxybenzyl)carbamoylamino]-4-keto-butyric acid tert-butyl ester Formula: C26H41N3O5 MolecularWeight: 475.62084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)N(C)CCCC1CCCCC1)NC(=O)NCC2=CC=C(C=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)N(C)CCCC1CCCCC1)NC(=O)NCC2=CC=C(C=C2)O

InChI

InChI=1S/C26H41N3O5/c1-26(2,3)34-23(31)17-22(28-25(33)27-18-20-12-14-21(30)15-13-20)24(32)29(4)16-8-11-19-9-6-5-7-10-19/h12-15,19,22,30H,5-11,16-18H2,1-4H3,(H2,27,28,33)/t22-/m0/s1