(Z)-2-[[N'-[(E)-4-oxidanyl-3-[[[1-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]amino]methyl]dec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid

Systemtic Name: (Z)-2-[[N'-[(E)-4-oxidanyl-3-[[[1-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]amino]methyl]dec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid Openeye Name: (Z)-2-[[N'-[(E)-3-[[(1-formyl-2-hydroxy-2-oxo-ethyl)amino]methyl]-4-hydroxy-dec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid CAS Name: (Z)-2-[[amino-[(E)-4-hydroxy-3-[[(1-hydroxy-1,3-dioxopropan-2-yl)amino]methyl]dec-2-enyl]iminomethyl]amino]-4-[(E)-prop-1-enyl]-3-nonenoic acid IUPAC Name: (Z)-2-[[N'-[(E)-4-hydroxy-3-[[(1-hydroxy-1,3-dioxopropan-2-yl)amino]methyl]dec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid Traditional Name: (3Z,5E)-4-amyl-2-[[N'-[(E)-3-[[(1-formyl-2-hydroxy-2-keto-ethyl)amino]methyl]-4-hydroxy-dec-2-enyl]amidino]amino]hepta-3,5-dienoic acid Formula: C27H46N4O6 MolecularWeight: 522.67734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=CCN=C(N)NC(C=C(CCCCC)C=CC)C(=O)O)CNC(C=O)C(=O)O)O

Isomeric SMILES

CCCCCCC(/C(=C/CN=C(N)NC(/C=C(/CCCCC)\C=C\C)C(=O)O)/CNC(C=O)C(=O)O)O

InChI

InChI=1S/C27H46N4O6/c1-4-7-9-11-14-24(33)21(18-30-23(19-32)26(36)37)15-16-29-27(28)31-22(25(34)35)17-20(12-6-3)13-10-8-5-2/h6,12,15,17,19,22-24,30,33H,4-5,7-11,13-14,16,18H2,1-3H3,(H,34,35)(H,36,37)(H3,28,29,31)/b12-6+,20-17+,21-15+