tert-butyl (2S)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O6/c1-13(2)17(19(27)30-21(3,4)5)24-18(26)15(11-16(22)25)23-20(28)29-12-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3,(H2,22,25)(H,23,28)(H,24,26)/t15-,17-/m0/s1