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

Systemtic Name: (2S)-5-[3-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]-2-azanyl-pentanoic acid Openeye Name: (2S)-2-amino-5-[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]pentanoic acid CAS Name: (2S)-2-amino-5-[3-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]pentanoic acid IUPAC Name: (2S)-2-amino-5-[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pentanoic acid Traditional Name: (2S)-2-amino-5-[3-(4-carbamoyl-5-ureido-2-thienyl)phenyl]valeric acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCCC(C(=O)O)N)C2=CC(=C(S2)NC(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CCC[C@@H](C(=O)O)N)C2=CC(=C(S2)NC(=O)N)C(=O)N

InChI

InChI=1S/C17H20N4O4S/c18-12(16(23)24)6-2-4-9-3-1-5-10(7-9)13-8-11(14(19)22)15(26-13)21-17(20)25/h1,3,5,7-8,12H,2,4,6,18H2,(H2,19,22)(H,23,24)(H3,20,21,25)/t12-/m0/s1