methyl (3S,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methyl-pentyl]-4-[bis(azanyl)methylideneamino]cyclopentene-1-carboxylate

Systemtic Name: methyl (3S,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methyl-pentyl]-4-[bis(azanyl)methylideneamino]cyclopentene-1-carboxylate Openeye Name: methyl (3S,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methyl-pentyl]-4-guanidino-cyclopentene-1-carboxylate CAS Name: (3S,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-(diaminomethylideneamino)-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-(diaminomethylideneamino)cyclopentene-1-carboxylate Traditional Name: (3S,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methyl-pentyl]-4-guanidino-cyclopentene-1-carboxylic acid methyl ester Formula: C17H30N4O4 MolecularWeight: 354.4445

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C=C(CC1N=C(N)N)C(=O)OC)NC(=O)C)OC

Isomeric SMILES

CCC[C@@](C)([C@@H]([C@@H]1C=C(C[C@H]1N=C(N)N)C(=O)OC)NC(=O)C)OC

InChI

InChI=1S/C17H30N4O4/c1-6-7-17(3,25-5)14(20-10(2)22)12-8-11(15(23)24-4)9-13(12)21-16(18)19/h8,12-14H,6-7,9H2,1-5H3,(H,20,22)(H4,18,19,21)/t12-,13-,14-,17+/m1/s1