N-[(2S)-1-[[(2S)-1-azanyl-3-phenylmethoxy-1-sulfanyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-1-azanyl-3-phenylmethoxy-1-sulfanyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]morpholine-4-carboxamide Openeye Name: N-[(1S)-1-[[(1S)-2-amino-1-(benzyloxymethyl)-2-sulfanyl-ethyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide CAS Name: N-[(2S)-1-[[(2S)-1-amino-1-mercapto-3-phenylmethoxypropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-3-phenylmethoxy-1-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide Traditional Name: N-[(1S)-1-[[(1S)-2-amino-1-(benzoxymethyl)-2-mercapto-ethyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(N)S)NC(=O)N2CCOCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](COCC1=CC=CC=C1)C(N)S)NC(=O)N2CCOCC2

InChI

InChI=1S/C21H34N4O4S/c1-15(2)12-17(24-21(27)25-8-10-28-11-9-25)20(26)23-18(19(22)30)14-29-13-16-6-4-3-5-7-16/h3-7,15,17-19,30H,8-14,22H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-,19?/m0/s1