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

Systemtic Name: tert-butyl (2S)-2-[[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methylamino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methylamino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[3-(4-carbamoyl-5-ureido-2-thienyl)benzyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C23H32N4O4S/c1-13(2)9-17(21(29)31-23(3,4)5)26-12-14-7-6-8-15(10-14)18-11-16(19(24)28)20(32-18)27-22(25)30/h6-8,10-11,13,17,26H,9,12H2,1-5H3,(H2,24,28)(H3,25,27,30)/t17-/m0/s1