(phenylmethyl) N-[(2S)-1-oxidanylidene-3-phenyl-1-[8-(prop-2-enoylamino)octylamino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-3-phenyl-1-[8-(prop-2-enoylamino)octylamino]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-oxo-2-[8-(prop-2-enoylamino)octylamino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[8-(1-oxoprop-2-enylamino)octylamino]-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-3-phenyl-1-[8-(prop-2-enoylamino)octylamino]propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(8-acrylamidooctylamino)-1-benzyl-2-keto-ethyl]carbamic acid benzyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCCCCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=CC(=O)NCCCCCCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37N3O4/c1-2-26(32)29-19-13-5-3-4-6-14-20-30-27(33)25(21-23-15-9-7-10-16-23)31-28(34)35-22-24-17-11-8-12-18-24/h2,7-12,15-18,25H,1,3-6,13-14,19-22H2,(H,29,32)(H,30,33)(H,31,34)/t25-/m0/s1