4-(2-azanylethanoylamino)-N-[1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-oxidanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethanoylamino)-N-[1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-oxidanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-[(2-aminoacetyl)amino]-N-[1-[(5,6-dimethyl-1,3-benzoxazol-2-yl)-hydroxy-methyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-[1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-aminoacetyl)amino]-N-[1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[1-[(5,6-dimethyl-1,3-benzoxazol-2-yl)-hydroxy-methyl]-3-phenyl-propyl]-4-(glycylamino)pyrrolidine-2-carboxamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C(C(CCC3=CC=CC=C3)NC(=O)C4CC(CN4)NC(=O)CN)O

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C(C(CCC3=CC=CC=C3)NC(=O)C4CC(CN4)NC(=O)CN)O

InChI

InChI=1S/C26H33N5O4/c1-15-10-20-22(11-16(15)2)35-26(31-20)24(33)19(9-8-17-6-4-3-5-7-17)30-25(34)21-12-18(14-28-21)29-23(32)13-27/h3-7,10-11,18-19,21,24,28,33H,8-9,12-14,27H2,1-2H3,(H,29,32)(H,30,34)