2-[[(2S)-2-(phenylmethoxycarbonylamino)-6-(prop-2-enoylamino)hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-(phenylmethoxycarbonylamino)-6-(prop-2-enoylamino)hexanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-6-(prop-2-enoylamino)hexanoyl]amino]acetic acid CAS Name: 2-[[(2S)-1-oxo-6-(1-oxoprop-2-enylamino)-2-(phenylmethoxycarbonylamino)hexyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-(phenylmethoxycarbonylamino)-6-(prop-2-enoylamino)hexanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-6-acrylamido-2-(benzyloxycarbonylamino)hexanoyl]amino]acetic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCC(C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C=CC(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H25N3O6/c1-2-16(23)20-11-7-6-10-15(18(26)21-12-17(24)25)22-19(27)28-13-14-8-4-3-5-9-14/h2-5,8-9,15H,1,6-7,10-13H2,(H,20,23)(H,21,26)(H,22,27)(H,24,25)/t15-/m0/s1