tert-butyl N-[(2S,3S,5S)-5-(2-azanylethylcarbamoyl)-6-methyl-3-oxidanyl-1-phenyl-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,5S)-5-(2-azanylethylcarbamoyl)-6-methyl-3-oxidanyl-1-phenyl-heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4S)-4-(2-aminoethylcarbamoyl)-1-benzyl-2-hydroxy-5-methyl-hexyl]carbamate CAS Name: N-[(2S,3S,5S)-5-[(2-aminoethylamino)-oxomethyl]-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5S)-5-(2-aminoethylcarbamoyl)-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamate Traditional Name: N-[(1S,2S,4S)-4-(2-aminoethylcarbamoyl)-1-benzyl-2-hydroxy-5-methyl-hexyl]carbamic acid tert-butyl ester Formula: C22H37N3O4 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCN

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCN

InChI

InChI=1S/C22H37N3O4/c1-15(2)17(20(27)24-12-11-23)14-19(26)18(13-16-9-7-6-8-10-16)25-21(28)29-22(3,4)5/h6-10,15,17-19,26H,11-14,23H2,1-5H3,(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1