N-[2-[(7-azanyl-2-oxidanyl-1-oxidanylidene-1-phenylazanyl-heptan-3-yl)amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide

Systemtic Name: N-[2-[(7-azanyl-2-oxidanyl-1-oxidanylidene-1-phenylazanyl-heptan-3-yl)amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide Openeye Name: N-[2-[[5-amino-1-(2-anilino-1-hydroxy-2-oxo-ethyl)pentyl]amino]-2-oxo-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide CAS Name: N-[2-[(7-amino-1-anilino-2-hydroxy-1-oxoheptan-3-yl)amino]-2-oxoethyl]-2-[(2-cyanophenyl)thio]-N-methylbenzamide IUPAC Name: N-[2-[(7-amino-1-anilino-2-hydroxy-1-oxoheptan-3-yl)amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide Traditional Name: N-[2-[[5-amino-1-(2-anilino-1-hydroxy-2-keto-ethyl)pentyl]amino]-2-keto-ethyl]-2-[(2-cyanophenyl)thio]-N-methyl-benzamide Formula: C30H33N5O4S MolecularWeight: 559.67912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCCCN)C(C(=O)NC1=CC=CC=C1)O)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CN(CC(=O)NC(CCCCN)C(C(=O)NC1=CC=CC=C1)O)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C30H33N5O4S/c1-35(30(39)23-14-6-8-17-26(23)40-25-16-7-5-11-21(25)19-32)20-27(36)34-24(15-9-10-18-31)28(37)29(38)33-22-12-3-2-4-13-22/h2-8,11-14,16-17,24,28,37H,9-10,15,18,20,31H2,1H3,(H,33,38)(H,34,36)