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

Systemtic Name: cyclopentyl (2S)-4-[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenoxy]-2-azanyl-butanoate Openeye Name: cyclopentyl (2S)-2-amino-4-[3-(4-carbamoyl-5-ureido-2-thienyl)phenoxy]butanoate CAS Name: (2S)-2-amino-4-[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenoxy]butanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-amino-4-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenoxy]butanoate Traditional Name: (2S)-2-amino-4-[3-(4-carbamoyl-5-ureido-2-thienyl)phenoxy]butyric acid cyclopentyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c22-16(20(27)30-13-5-1-2-6-13)8-9-29-14-7-3-4-12(10-14)17-11-15(18(23)26)19(31-17)25-21(24)28/h3-4,7,10-11,13,16H,1-2,5-6,8-9,22H2,(H2,23,26)(H3,24,25,28)/t16-/m0/s1