cyclopentyl (2S)-4-[4-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]-2-methyl-phenoxy]-2-azanyl-butanoate

Systemtic Name: cyclopentyl (2S)-4-[4-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]-2-methyl-phenoxy]-2-azanyl-butanoate Openeye Name: cyclopentyl (2S)-2-amino-4-[4-(4-carbamoyl-5-ureido-2-thienyl)-2-methyl-phenoxy]butanoate CAS Name: (2S)-2-amino-4-[4-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]-2-methylphenoxy]butanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-amino-4-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-methylphenoxy]butanoate Traditional Name: (2S)-2-amino-4-[4-(4-carbamoyl-5-ureido-2-thienyl)-2-methyl-phenoxy]butyric acid cyclopentyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N)OCCC(C(=O)OC3CCCC3)N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N)OCC[C@@H](C(=O)OC3CCCC3)N

InChI

InChI=1S/C22H28N4O5S/c1-12-10-13(18-11-15(19(24)27)20(32-18)26-22(25)29)6-7-17(12)30-9-8-16(23)21(28)31-14-4-2-3-5-14/h6-7,10-11,14,16H,2-5,8-9,23H2,1H3,(H2,24,27)(H3,25,26,29)/t16-/m0/s1