cyclopentyl (2S)-4-[4-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]-3-chloranyl-phenoxy]-2-azanyl-butanoate

Systemtic Name: cyclopentyl (2S)-4-[4-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]-3-chloranyl-phenoxy]-2-azanyl-butanoate Openeye Name: cyclopentyl (2S)-2-amino-4-[4-(4-carbamoyl-5-ureido-2-thienyl)-3-chloro-phenoxy]butanoate CAS Name: (2S)-2-amino-4-[4-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]-3-chlorophenoxy]butanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-amino-4-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-3-chlorophenoxy]butanoate Traditional Name: (2S)-2-amino-4-[4-(4-carbamoyl-5-ureido-2-thienyl)-3-chloro-phenoxy]butyric acid cyclopentyl ester Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C(CCOC2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)Cl)N

Isomeric SMILES

C1CCC(C1)OC(=O)[C@H](CCOC2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)Cl)N

InChI

InChI=1S/C21H25ClN4O5S/c22-15-9-12(30-8-7-16(23)20(28)31-11-3-1-2-4-11)5-6-13(15)17-10-14(18(24)27)19(32-17)26-21(25)29/h5-6,9-11,16H,1-4,7-8,23H2,(H2,24,27)(H3,25,26,29)/t16-/m0/s1