5-(aminocarbonylamino)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-(aminocarbonylamino)-2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-5-ureido-pentanoic acid CAS Name: 5-(carbamoylamino)-2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(carbamoylamino)-2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]pentanoic acid Traditional Name: 2-[[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]amino]-5-ureido-valeric acid Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CCCNC(=O)N)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)NC(CCCNC(=O)N)C(=O)O)O

InChI

InChI=1S/C16H21N3O5S/c1-16(2,24)8-7-10-5-6-12(25-10)13(20)19-11(14(21)22)4-3-9-18-15(17)23/h5-6,11,24H,3-4,9H2,1-2H3,(H,19,20)(H,21,22)(H3,17,18,23)