3-azanyl-N-[4-[(3-azanyl-1,2-benzoxazol-5-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide

Systemtic Name: 3-azanyl-N-[4-[(3-azanyl-1,2-benzoxazol-5-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide Openeye Name: 3-amino-N-[3-[(3-amino-1,2-benzoxazol-5-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-benzamide CAS Name: 3-amino-N-[4-[(3-amino-1,2-benzoxazol-5-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: 3-amino-N-[4-[(3-amino-1,2-benzoxazol-5-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: 3-amino-N-[3-[(3-aminoindoxazen-5-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-benzamide Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)ON=C4N)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)ON=C4N)O

InChI

InChI=1S/C29H35N5O5S/c1-18(2)16-34(40(37,38)21-12-13-27-23(15-21)28(31)33-39-27)17-26(35)25(14-20-8-5-4-6-9-20)32-29(36)22-10-7-11-24(30)19(22)3/h4-13,15,18,25-26,35H,14,16-17,30H2,1-3H3,(H2,31,33)(H,32,36)