3-[[(1-azanyl-1-azanylidene-propan-2-yl)-[methyl(piperidin-3-yl)carbamoyl]sulfonyl-carbamoyl]amino]-3-cyclopropyl-propanoic acid

Systemtic Name: 3-[[(1-azanyl-1-azanylidene-propan-2-yl)-[methyl(piperidin-3-yl)carbamoyl]sulfonyl-carbamoyl]amino]-3-cyclopropyl-propanoic acid Openeye Name: 3-[[(2-amino-2-imino-1-methyl-ethyl)-[methyl(3-piperidyl)carbamoyl]sulfonyl-carbamoyl]amino]-3-cyclopropyl-propanoic acid CAS Name: 3-[[[(1-amino-1-iminopropan-2-yl)-[[methyl(3-piperidinyl)amino]-oxomethyl]sulfonylamino]-oxomethyl]amino]-3-cyclopropylpropanoic acid IUPAC Name: 3-[[(1-amino-1-iminopropan-2-yl)-[methyl(piperidin-3-yl)carbamoyl]sulfonylcarbamoyl]amino]-3-cyclopropylpropanoic acid Traditional Name: 3-[[(2-amino-2-imino-1-methyl-ethyl)-[methyl(3-piperidyl)carbamoyl]sulfonyl-carbamoyl]amino]-3-cyclopropyl-propionic acid Formula: C17H30N6O6S MolecularWeight: 446.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=N)N)N(C(=O)NC(CC(=O)O)C1CC1)S(=O)(=O)C(=O)N(C)C2CCCNC2

Isomeric SMILES

CC(C(=N)N)N(C(=O)NC(CC(=O)O)C1CC1)S(=O)(=O)C(=O)N(C)C2CCCNC2

InChI

InChI=1S/C17H30N6O6S/c1-10(15(18)19)23(16(26)21-13(8-14(24)25)11-5-6-11)30(28,29)17(27)22(2)12-4-3-7-20-9-12/h10-13,20H,3-9H2,1-2H3,(H3,18,19)(H,21,26)(H,24,25)