tert-butyl (2S)-2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methylamino]propanoate CAS Name: (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]propanoate Traditional Name: (2S)-2-[[3-(4-carbamoyl-5-ureido-2-thienyl)benzyl]amino]propionic acid tert-butyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NCC1=CC=CC(=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NCC1=CC=CC(=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N

InChI

InChI=1S/C20H26N4O4S/c1-11(18(26)28-20(2,3)4)23-10-12-6-5-7-13(8-12)15-9-14(16(21)25)17(29-15)24-19(22)27/h5-9,11,23H,10H2,1-4H3,(H2,21,25)(H3,22,24,27)/t11-/m0/s1