(Z)-2-[[N'-[(Z)-4-oxidanyl-3-(propylcarbamoyl)dodec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid

Systemtic Name: (Z)-2-[[N'-[(Z)-4-oxidanyl-3-(propylcarbamoyl)dodec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid Openeye Name: (Z)-2-[[N'-[(Z)-4-hydroxy-3-(propylcarbamoyl)dodec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid CAS Name: (Z)-2-[[amino-[(Z)-4-hydroxy-3-[oxo(propylamino)methyl]dodec-2-enyl]iminomethyl]amino]-4-[(E)-prop-1-enyl]-3-nonenoic acid IUPAC Name: (Z)-2-[[N'-[(Z)-4-hydroxy-3-(propylcarbamoyl)dodec-2-enyl]carbamimidoyl]amino]-4-[(E)-prop-1-enyl]non-3-enoic acid Traditional Name: (3Z,5E)-4-amyl-2-[[N'-[(Z)-4-hydroxy-3-(propylcarbamoyl)dodec-2-enyl]amidino]amino]hepta-3,5-dienoic acid Formula: C29H52N4O4 MolecularWeight: 520.74758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=CCN=C(N)NC(C=C(CCCCC)C=CC)C(=O)O)C(=O)NCCC)O

Isomeric SMILES

CCCCCCCCC(/C(=C/CN=C(N)NC(/C=C(/CCCCC)\C=C\C)C(=O)O)/C(=O)NCCC)O

InChI

InChI=1S/C29H52N4O4/c1-5-9-11-12-13-15-18-26(34)24(27(35)31-20-8-4)19-21-32-29(30)33-25(28(36)37)22-23(16-7-3)17-14-10-6-2/h7,16,19,22,25-26,34H,5-6,8-15,17-18,20-21H2,1-4H3,(H,31,35)(H,36,37)(H3,30,32,33)/b16-7+,23-22+,24-19-