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

Systemtic Name: cyclopentyl (2S)-5-[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]-2-azanyl-pentanoate Openeye Name: cyclopentyl (2S)-2-amino-5-[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]pentanoate CAS Name: (2S)-2-amino-5-[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]pentanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-amino-5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pentanoate Traditional Name: (2S)-2-amino-5-[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]valeric acid cyclopentyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C(CCCC2=CC=CC(=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)N

Isomeric SMILES

C1CCC(C1)OC(=O)[C@H](CCCC2=CC=CC(=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)N

InChI

InChI=1S/C22H28N4O4S/c23-17(21(28)30-15-8-1-2-9-15)10-4-6-13-5-3-7-14(11-13)18-12-16(19(24)27)20(31-18)26-22(25)29/h3,5,7,11-12,15,17H,1-2,4,6,8-10,23H2,(H2,24,27)(H3,25,26,29)/t17-/m0/s1