[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-(3-azanylpropylsulfonyl)carbamic acid

Systemtic Name: [1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-(3-azanylpropylsulfonyl)carbamic acid Openeye Name: [2-[2-(aminomethyl)pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]-(3-aminopropylsulfonyl)carbamic acid CAS Name: [1-[2-(aminomethyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-(3-aminopropylsulfonyl)carbamic acid IUPAC Name: [1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-(3-aminopropylsulfonyl)carbamic acid Traditional Name: [2-[2-(aminomethyl)pyrrolidino]-1-benzyl-2-keto-ethyl]-(3-aminopropylsulfonyl)carbamic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N(C(=O)O)S(=O)(=O)CCCN)CN

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N(C(=O)O)S(=O)(=O)CCCN)CN

InChI

InChI=1S/C18H28N4O5S/c19-9-5-11-28(26,27)22(18(24)25)16(12-14-6-2-1-3-7-14)17(23)21-10-4-8-15(21)13-20/h1-3,6-7,15-16H,4-5,8-13,19-20H2,(H,24,25)