2-[aminocarbonyl-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[aminocarbonyl-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(5-benzyl-3-carbamoyl-2-thienyl)-carbamoyl-amino]-3-methyl-butanoic acid CAS Name: 2-[carbamoyl-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-benzyl-3-carbamoylthiophen-2-yl)-carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-benzyl-3-carbamoyl-2-thienyl)-carbamoyl-amino]-3-methyl-butyric acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C1=C(C=C(S1)CC2=CC=CC=C2)C(=O)N)C(=O)N

Isomeric SMILES

CC(C)C(C(=O)O)N(C1=C(C=C(S1)CC2=CC=CC=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C18H21N3O4S/c1-10(2)14(17(23)24)21(18(20)25)16-13(15(19)22)9-12(26-16)8-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H2,19,22)(H2,20,25)(H,23,24)