5-[bis(azanyl)methylideneamino]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]pentanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-guanidino-pentanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-guanidino-valeric acid Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C16H22N4O5S/c1-2-3-11-25-12-6-8-13(9-7-12)26(23,24)20-14(15(21)22)5-4-10-19-16(17)18/h6-9,14,20H,4-5,10-11H2,1H3,(H,21,22)(H4,17,18,19)