methyl (2S)-2-[2-[(8E)-4-ethanoyl-2-oxidanylidene-1,4-diazacyclododec-8-en-1-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(8E)-4-ethanoyl-2-oxidanylidene-1,4-diazacyclododec-8-en-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(8E)-4-acetyl-2-oxo-1,4-diazacyclododec-8-en-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(8E)-4-acetyl-2-oxo-1,4-diazacyclododec-8-en-1-yl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(8E)-4-acetyl-2-oxo-1,4-diazacyclododec-8-en-1-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(8E)-4-acetyl-2-keto-1,4-diazacyclododec-8-en-1-yl]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC=CCCCN(C(=O)C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC/C=C/CCCN(C(=O)C1)CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C24H33N3O5/c1-19(28)26-14-10-5-3-4-6-11-15-27(23(30)18-26)17-22(29)25-21(24(31)32-2)16-20-12-8-7-9-13-20/h3-4,7-9,12-13,21H,5-6,10-11,14-18H2,1-2H3,(H,25,29)/b4-3+/t21-/m0/s1