tert-butyl 5-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl 5-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl 5-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-(benzyloxycarbonylamino)-5-oxo-pentanoate CAS Name: 5-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-[[(1S)-2-amino-2-keto-1-methylol-ethyl]amino]-4-(benzyloxycarbonylamino)-5-keto-valeric acid tert-butyl ester Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O7/c1-20(2,3)30-16(25)10-9-14(18(27)22-15(11-24)17(21)26)23-19(28)29-12-13-7-5-4-6-8-13/h4-8,14-15,24H,9-12H2,1-3H3,(H2,21,26)(H,22,27)(H,23,28)/t14?,15-/m0/s1