N-[3-[3-methylpentanoyl-[2-[(phenylmethyl)amino]ethanoylamino]amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)naphthalene-2-sulfonamide

Systemtic Name: N-[3-[3-methylpentanoyl-[2-[(phenylmethyl)amino]ethanoylamino]amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)naphthalene-2-sulfonamide Openeye Name: N-[3-[[[2-(benzylamino)acetyl]amino]-(3-methylpentanoyl)amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-naphthalene-2-sulfonamide CAS Name: N-[2-hydroxy-3-[(3-methyl-1-oxopentyl)-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]amino]-4-phenylbutyl]-N-(2-methylpropyl)-2-naphthalenesulfonamide IUPAC Name: N-[3-[[[2-(benzylamino)acetyl]amino]-(3-methylpentanoyl)amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)naphthalene-2-sulfonamide Traditional Name: N-[3-[[[2-(benzylamino)acetyl]amino]-(3-methylpentanoyl)amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-naphthalene-2-sulfonamide Formula: C39H50N4O5S MolecularWeight: 686.9031

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)N(C(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O)NC(=O)CNCC4=CC=CC=C4

Isomeric SMILES

CCC(C)CC(=O)N(C(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O)NC(=O)CNCC4=CC=CC=C4

InChI

InChI=1S/C39H50N4O5S/c1-5-30(4)22-39(46)43(41-38(45)26-40-25-32-16-10-7-11-17-32)36(23-31-14-8-6-9-15-31)37(44)28-42(27-29(2)3)49(47,48)35-21-20-33-18-12-13-19-34(33)24-35/h6-21,24,29-30,36-37,40,44H,5,22-23,25-28H2,1-4H3,(H,41,45)