2-[2,6-bis(azanyl)hexanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 2-[tert-butoxycarbonyl(2,6-diaminohexanoyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 2-[(2,6-diamino-1-oxohexyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 2-[2,6-diaminohexanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 2-[tert-butoxycarbonyl(2,6-diaminohexanoyl)amino]-3-(2-thienyl)propionic acid Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CC1=CC=CS1)C(=O)O)C(=O)C(CCCCN)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CC1=CC=CS1)C(=O)O)C(=O)C(CCCCN)N

InChI

InChI=1S/C18H29N3O5S/c1-18(2,3)26-17(25)21(15(22)13(20)8-4-5-9-19)14(16(23)24)11-12-7-6-10-27-12/h6-7,10,13-14H,4-5,8-9,11,19-20H2,1-3H3,(H,23,24)