(phenylmethyl) (2S)-2-[[(3S)-3-azanylbutanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(3S)-3-azanylbutanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl (2S)-2-[[(3S)-3-aminobutanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(3S)-3-amino-1-oxobutyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(3S)-3-aminobutanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[(3S)-3-aminobutanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid benzyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C[C@@H](CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C25H33N3O5/c1-19(26)16-23(29)28-22(24(30)32-17-20-10-4-2-5-11-20)14-8-9-15-27-25(31)33-18-21-12-6-3-7-13-21/h2-7,10-13,19,22H,8-9,14-18,26H2,1H3,(H,27,31)(H,28,29)/t19-,22-/m0/s1