ditert-butyl (2S)-2-[[(1S,2S)-2-azanyl-1,2-diphenyl-ethyl]carbamothioylamino]butanedioate

Systemtic Name: ditert-butyl (2S)-2-[[(1S,2S)-2-azanyl-1,2-diphenyl-ethyl]carbamothioylamino]butanedioate Openeye Name: ditert-butyl (2S)-2-[[(1S,2S)-2-amino-1,2-diphenyl-ethyl]carbamothioylamino]butanedioate CAS Name: (2S)-2-[[[[(1S,2S)-2-amino-1,2-diphenylethyl]amino]-sulfanylidenemethyl]amino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[(1S,2S)-2-amino-1,2-diphenylethyl]carbamothioylamino]butanedioate Traditional Name: (2S)-2-[[(1S,2S)-2-amino-1,2-diphenyl-ethyl]thiocarbamoylamino]succinic acid ditert-butyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)NC(=S)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=S)N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N

InChI

InChI=1S/C27H37N3O4S/c1-26(2,3)33-21(31)17-20(24(32)34-27(4,5)6)29-25(35)30-23(19-15-11-8-12-16-19)22(28)18-13-9-7-10-14-18/h7-16,20,22-23H,17,28H2,1-6H3,(H2,29,30,35)/t20-,22-,23-/m0/s1