2-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]ethanoylamino]-N-[2-methyl-5-(phenylsulfonylamino)phenyl]-3-oxidanyl-butanamide

Systemtic Name: 2-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]ethanoylamino]-N-[2-methyl-5-(phenylsulfonylamino)phenyl]-3-oxidanyl-butanamide Openeye Name: 2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]acetyl]amino]-N-[5-(benzenesulfonamido)-2-methyl-phenyl]-3-hydroxy-butanamide CAS Name: 2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxoethyl]amino]-N-[5-(benzenesulfonamido)-2-methylphenyl]-3-hydroxybutanamide IUPAC Name: 2-[[2-[(2-amino-3-hydroxypropanoyl)amino]acetyl]amino]-N-[5-(benzenesulfonamido)-2-methylphenyl]-3-hydroxybutanamide Traditional Name: 2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]acetyl]amino]-N-[5-(benzenesulfonamido)-2-methyl-phenyl]-3-hydroxy-butyramide Formula: C22H29N5O7S MolecularWeight: 507.55996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CO)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CO)N

InChI

InChI=1S/C22H29N5O7S/c1-13-8-9-15(27-35(33,34)16-6-4-3-5-7-16)10-18(13)25-22(32)20(14(2)29)26-19(30)11-24-21(31)17(23)12-28/h3-10,14,17,20,27-29H,11-12,23H2,1-2H3,(H,24,31)(H,25,32)(H,26,30)