2,2-bis(hydroxymethyl)butyl (Z)-4-azanyl-6-piperazin-1-yl-2,3-bis(2-piperazin-1-ylethyl)hex-2-enoate

Systemtic Name: 2,2-bis(hydroxymethyl)butyl (Z)-4-azanyl-6-piperazin-1-yl-2,3-bis(2-piperazin-1-ylethyl)hex-2-enoate Openeye Name: 2,2-bis(hydroxymethyl)butyl (Z)-4-amino-6-piperazin-1-yl-2,3-bis(2-piperazin-1-ylethyl)hex-2-enoate CAS Name: (Z)-4-amino-6-(1-piperazinyl)-2,3-bis[2-(1-piperazinyl)ethyl]-2-hexenoic acid 2,2-bis(hydroxymethyl)butyl ester IUPAC Name: 2,2-bis(hydroxymethyl)butyl (Z)-4-amino-6-piperazin-1-yl-2,3-bis(2-piperazin-1-ylethyl)hex-2-enoate Traditional Name: (Z)-4-amino-6-piperazino-2,3-bis(2-piperazinoethyl)hex-2-enoic acid 2,2-dimethylolbutyl ester Formula: C28H55N7O4 MolecularWeight: 553.7808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)C(=C(CCN1CCNCC1)C(CCN2CCNCC2)N)CCN3CCNCC3

Isomeric SMILES

CCC(CO)(CO)COC(=O)/C(=C(/CCN1CCNCC1)\C(CCN2CCNCC2)N)/CCN3CCNCC3

InChI

InChI=1S/C28H55N7O4/c1-2-28(21-36,22-37)23-39-27(38)25(4-13-34-17-8-31-9-18-34)24(3-12-33-15-6-30-7-16-33)26(29)5-14-35-19-10-32-11-20-35/h26,30-32,36-37H,2-23,29H2,1H3/b25-24-