tert-butyl 3-[[5-[(6-azanylpyridin-3-yl)methylcarbamoyl]thiophen-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: tert-butyl 3-[[5-[(6-azanylpyridin-3-yl)methylcarbamoyl]thiophen-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: tert-butyl 3-[[5-[(6-amino-3-pyridyl)methylcarbamoyl]thiophene-2-carbonyl]amino]-2-(benzenesulfonamido)propanoate CAS Name: 3-[[[5-[[(6-amino-3-pyridinyl)methylamino]-oxomethyl]-2-thiophenyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-[(6-aminopyridin-3-yl)methylcarbamoyl]thiophene-2-carbonyl]amino]-2-(benzenesulfonamido)propanoate Traditional Name: 3-[[5-[(6-amino-3-pyridyl)methylcarbamoyl]thiophene-2-carbonyl]amino]-2-(benzenesulfonamido)propionic acid tert-butyl ester Formula: C25H29N5O6S2 MolecularWeight: 559.65766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(S1)C(=O)NCC2=CN=C(C=C2)N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(S1)C(=O)NCC2=CN=C(C=C2)N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29N5O6S2/c1-25(2,3)36-24(33)18(30-38(34,35)17-7-5-4-6-8-17)15-29-23(32)20-11-10-19(37-20)22(31)28-14-16-9-12-21(26)27-13-16/h4-13,18,30H,14-15H2,1-3H3,(H2,26,27)(H,28,31)(H,29,32)