6-azanyl-1-[2-[(2S)-2-azanyl-3-phenyl-propanoyl]-5-(2-methylprop-2-enoyl)-6-nitro-3-oxidanyl-phenyl]hexan-1-one

Systemtic Name: 6-azanyl-1-[2-[(2S)-2-azanyl-3-phenyl-propanoyl]-5-(2-methylprop-2-enoyl)-6-nitro-3-oxidanyl-phenyl]hexan-1-one Openeye Name: 6-amino-1-[2-[(2S)-2-amino-3-phenyl-propanoyl]-3-hydroxy-5-(2-methylprop-2-enoyl)-6-nitro-phenyl]hexan-1-one CAS Name: 6-amino-1-[2-[(2S)-2-amino-1-oxo-3-phenylpropyl]-3-hydroxy-5-(2-methyl-1-oxoprop-2-enyl)-6-nitrophenyl]-1-hexanone IUPAC Name: 6-amino-1-[2-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-5-(2-methylprop-2-enoyl)-6-nitrophenyl]hexan-1-one Traditional Name: 6-amino-1-[2-[(2S)-2-amino-3-phenyl-propanoyl]-3-hydroxy-5-methacryloyl-6-nitro-phenyl]hexan-1-one Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C1=CC(=C(C(=C1[N+](=O)[O-])C(=O)CCCCCN)C(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CC(=C)C(=O)C1=CC(=C(C(=C1[N+](=O)[O-])C(=O)CCCCCN)C(=O)[C@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C25H29N3O6/c1-15(2)24(31)17-14-20(30)22(25(32)18(27)13-16-9-5-3-6-10-16)21(23(17)28(33)34)19(29)11-7-4-8-12-26/h3,5-6,9-10,14,18,30H,1,4,7-8,11-13,26-27H2,2H3/t18-/m0/s1