(phenylmethyl) N-[(2S)-1-[2-azanylbutanoyl(ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-azanylbutanoyl(ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[2-aminobutanoyl(ethyl)carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[(2-amino-1-oxobutyl)-ethylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-aminobutanoyl(ethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[2-aminobutanoyl(ethyl)carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-5-16(21)18(24)23(6-2)19(25)17(12-14(3)4)22-20(26)27-13-15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13,21H2,1-4H3,(H,22,26)/t16?,17-/m0/s1